CHEBI:32263 - Trimethylcetylammonium pentachlorophenate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Trimethylcetylammonium pentachlorophenate
ChEBI ID CHEBI:32263
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formulae C19H42N.C6Cl5O
C25H42Cl5NO
Net Charge 0
Average Mass 549.873
Monoisotopic Mass 547.17090
InChI InChI=1S/C19H42N.C6HCl5O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;7-1-2(8)4(10)6(12)5(11)3(1)9/h5-19H2,1-4H3;12H/q+1;/p-1
InChIKey FDODMJVLXHAZON-UHFFFAOYSA-M
SMILES C1(=C(Cl)C(=C(Cl)C(=C1Cl)Cl)Cl)[O-].[N+](C)(C)(CCCCCCCCCCCCCCCC)C
ChEBI Ontology
Outgoing Trimethylcetylammonium pentachlorophenate (CHEBI:32263) is a quaternary ammonium salt (CHEBI:35273)
Synonym Source
Trimethylcetylammonium pentachlorophenate KEGG COMPOUND
Manual Xref Database
D01556 KEGG DRUG
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Registry Number Type Source
87-76-3 CAS Registry Number KEGG COMPOUND
Last Modified
06 March 2017