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CHEBI:32263 - Trimethylcetylammonium pentachlorophenate

ChEBI IDCHEBI:32263
ChEBI NameTrimethylcetylammonium pentachlorophenate
Stars
Last Modified6 March 2017
DownloadsMolfile
FormulaC19H42N.C6Cl5O
Net Charge0
Average Mass549.882
Monoisotopic Mass547.17090
SMILESCCCCCCCCCCCCCCCC[N+](C)(C)C.[O-]c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=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
InChIKeyFDODMJVLXHAZON-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
Trimethylcetylammonium pentachlorophenate (CHEBI:32263) is a quaternary ammonium salt (CHEBI:35273)
Synonym  Source
Trimethylcetylammonium pentachlorophenateKEGG COMPOUND
Manual XrefsDatabases
D01556KEGG DRUG
Registry NumbersSources
CAS:87-76-3KEGG COMPOUND