EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:39561 - cetyltrimethylammonium ion

ChEBI IDCHEBI:39561
ChEBI Namecetyltrimethylammonium ion
Stars
DefinitionA quaternary ammonium ion in which the substituents on nitrogen are one hexadecyl and three methyl groups.
Last Modified22 February 2017
DownloadsMolfile
FormulaC19H42N
Net Charge+1
Average Mass284.552
Monoisotopic Mass284.33118
SMILESCCCCCCCCCCCCCCCC[N+](C)(C)C
InChIInChI=1S/C19H42N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4/h5-19H2,1-4H3/q+1
InChIKeyRLGQACBPNDBWTB-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
cetyltrimethylammonium ion (CHEBI:39561) is a quaternary ammonium ion (CHEBI:35267)
Incoming Relation(s)
cetyltrimethylammonium bromide (CHEBI:3567) has part cetyltrimethylammonium ion (CHEBI:39561)
cetyltrimethylammonium chloride (CHEBI:53581) has part cetyltrimethylammonium ion (CHEBI:39561)
IUPAC Name 
N,N,N-trimethylhexadecan-1-aminium
Synonyms  Source
CETYL-TRIMETHYL-AMMONIUMPDBeChem
CetrimoniumChemIDplus
HexadecyltrimethylammoniumChemIDplus
N,N,N-Trimethyl-1-hexadecanaminiumChemIDplus
Cetyltrimethylammonium cationChemIDplus
Hexadecyltrimethylammonium ionChemIDplus
Manual XrefsDatabases
16APDBeChem
3082DrugCentral
Registry NumbersSources
Reaxys:1772803Reaxys
CAS:6899-10-1ChemIDplus
Citations