14746849
  -OEChem-09211010322D

 39 36  0     0  0  0  0  0  0999 V2000
    0.8660    3.8059    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3059    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.3660    4.6720    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.7320    4.3059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3660    2.9399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.4030    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.1350    6.2089    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.0010    6.7089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    5.7089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6350    7.0749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6350    5.3429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.9030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.9030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6350    2.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6350    0.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3110    6.1720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    7.0189    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6910    7.2458    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9590    6.2458    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    5.3989    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5790    5.1720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1720    7.3849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3250    7.6118    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    6.7649    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    5.0329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9450    4.8059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1720    5.6529    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3110    1.3660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    2.2130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6910    2.4399    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9590    1.4399    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5790    0.3660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1720    2.5790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3250    2.8059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    1.9590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    0.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9450    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1720    0.8469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  1  5  2  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
M  CHG  4   2  -1   3  -1   6   1   7   1
M  END
> <PUBCHEM_COMPOUND_CID>
14746849

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
81.3

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzOABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAFAAAAAAAAAAAAAQCAAMAAAAAAAAAADAAAAAAAAAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
tetramethylammonium sulfate

> <PUBCHEM_IUPAC_CAS_NAME>
tetramethylammonium sulfate

> <PUBCHEM_IUPAC_NAME>
tetramethylazanium sulfate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
tetramethylazanium sulfate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
tetramethylammonium sulfate

> <PUBCHEM_NIST_INCHI>
InChI=1S/2C4H12N.H2O4S/c3*1-5(2,3)4/h2*1-4H3;(H2,1,2,3,4)/q2*+1;/p-2

> <PUBCHEM_NIST_INCHIKEY>
KJFVITRRNTVAPC-UHFFFAOYSA-L

> <PUBCHEM_EXACT_MASS>
244.145678

> <PUBCHEM_MOLECULAR_FORMULA>
C8H24N2O4S

> <PUBCHEM_MOLECULAR_WEIGHT>
244.35216

> <PUBCHEM_OPENEYE_CAN_SMILES>
C[N+](C)(C)C.C[N+](C)(C)C.[O-]S(=O)(=O)[O-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[N+](C)(C)C.C[N+](C)(C)C.[O-]S(=O)(=O)[O-]

> <PUBCHEM_CACTVS_TPSA>
88.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
244.145678

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
3

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$