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CHEBI:135611 - benzododecinium

ChEBI IDCHEBI:135611
ChEBI Namebenzododecinium
Stars
DefinitionA quaternary ammonium ion obtained by methylation of N-benzyl-N-methyldodecan-1-amine.
Last Modified20 January 2021
DownloadsMolfile
FormulaC21H38N
Net Charge+1
Average Mass304.542
Monoisotopic Mass304.29988
SMILESCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1
InChIInChI=1S/C21H38N/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21/h13-15,17-18H,4-12,16,19-20H2,1-3H3/q+1
InChIKeyCYDRXTMLKJDRQH-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
benzododecinium (CHEBI:135611) is a quaternary ammonium ion (CHEBI:35267)
Incoming Relation(s)
benzododecinium bromide (CHEBI:167207) has part benzododecinium (CHEBI:135611)
benzododecinium chloride (CHEBI:167208) has part benzododecinium (CHEBI:135611)
IUPAC Name 
N-benzyl-N,N-dimethyldodecan-1-aminium
Synonyms  Source
benzyldodecyldimethylammoniumDrugCentral
benzododeciniumDrugCentral
dimethyldodecylbenzylammoniumChemIDplus
benzyldimethyldodecylammonium ionChemIDplus
lauryldimethylbenzylammoniumChemIDplus
dimethyllaurylbenzylammoniumChemIDplus
Manual XrefsDatabases
3017DrugCentral
DB13282DrugBank
8424ChemSpider
Registry NumbersSources
CAS:10328-35-5ChemIDplus
Citations