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CHEBI:135523 - cetalkonium chloride

ChEBI IDCHEBI:135523
ChEBI Namecetalkonium chloride
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC25H46N
Net Charge+1
Average Mass360.650
Monoisotopic Mass360.36248
SMILESCCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1
InChIInChI=1S/C25H46N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(2,3)24-25-21-18-17-19-22-25/h17-19,21-22H,4-16,20,23-24H2,1-3H3/q+1
InChIKeyQDYLMAYUEZBUFO-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
cetalkonium chloride (CHEBI:135523) is a aromatic amine (CHEBI:33860)
Synonyms  Source
cetyldimethylbenzylammonium chlorideDrugCentral
hexadecyldimethylbenzylammonium chlorideDrugCentral
dimethylbenzylcetylammonium chlorideDrugCentral
benzylhexadecyldimethylammonium chlorideDrugCentral
cetylbenzyldimethylammonium chlorideDrugCentral
benzyldimethylhexadecylammonium chlorideDrugCentral
Manual XrefsDatabases
3078DrugCentral
Registry NumbersSources
CAS:122-18-9DrugCentral