-OEChem-01131113492D

 20 19  0     0  0  0  0  0  0999 V2000
   18.7007   -4.1040    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   17.9864   -3.6915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2719   -4.1040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5574   -3.6915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4153   -4.5165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1133   -3.3895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2883   -4.8184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8429   -4.1040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1285   -3.6915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4141   -4.1040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6996   -3.6915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9852   -4.1040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2707   -3.6915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5562   -4.1040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8417   -3.6915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1274   -4.1040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4128   -3.6915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6984   -4.1040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9840   -3.6915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2695   -4.1040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  CHG  1   1   1
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
1

> <PUBCHEM_SUBSTANCE_ID>
87246437

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChEBI

> <PUBCHEM_EXT_DATASOURCE_REGID>
CHEBI:39561

> <PUBCHEM_SUBSTANCE_SYNONYM>
CETYL-TRIMETHYL-AMMONIUM
CHEBI:39561
Cetrimonium
Cetyltrimethylammonium cation
Hexadecyltrimethylammonium
Hexadecyltrimethylammonium ion
N,N,N-Trimethyl-1-hexadecanaminium
N,N,N-trimethylhexadecan-1-aminium
Trimethylhexadecylammonium
cetyltrimethylammonium
trimethylhexadecylammonium ion

> <PUBCHEM_XREF_EXT_ID>
CHEBI:39561

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.ebi.ac.uk/chebi/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:39561

> <PUBCHEM_CID_ASSOCIATIONS>
2681  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$