CHEBI:39561 - cetyltrimethylammonium ion

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ChEBI Name cetyltrimethylammonium ion
ChEBI ID CHEBI:39561
Definition A quaternary ammonium ion in which the substituents on nitrogen are one hexadecyl and three methyl groups.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C19H42N
Net Charge +1
Average Mass 284.54350
Monoisotopic Mass 284.33118
InChI InChI=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
InChIKey RLGQACBPNDBWTB-UHFFFAOYSA-N
SMILES CCCCCCCCCCCCCCCC[N+](C)(C)C
ChEBI Ontology
Outgoing cetyltrimethylammonium ion (CHEBI:39561) is a quaternary ammonium ion (CHEBI:35267)
Incoming 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 Sources
Cetrimonium ChemIDplus
CETYL-TRIMETHYL-AMMONIUM PDBeChem
cetyltrimethylammonium ChEBI
Cetyltrimethylammonium cation ChemIDplus
Hexadecyltrimethylammonium ChemIDplus
Hexadecyltrimethylammonium ion ChemIDplus
N,N,N-Trimethyl-1-hexadecanaminium ChemIDplus
Trimethylhexadecylammonium ChemIDplus
trimethylhexadecylammonium ion ChEBI
Manual Xrefs Databases
16A PDBeChem
3082 DrugCentral
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Registry Numbers Types Sources
1772803 Reaxys Registry Number Reaxys
1772803 Beilstein Registry Number Beilstein
6899-10-1 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
11999517 PubMed citation Europe PMC
18762921 PubMed citation Europe PMC
24020648 PubMed citation Europe PMC
5758558 PubMed citation Europe PMC
Last Modified
22 February 2017