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CHEBI:59067 - penotonium bromide

ChEBI IDCHEBI:59067
ChEBI Namepenotonium bromide
Stars
DefinitionA carboxylic ester having diphenylacetic acid as the carboxylic acid component and a 2-(trialkylammonium)ethanol as the alcohol component.
Last Modified15 March 2016
SubmitterSteve
DownloadsMolfile
FormulaBr.C23H32NO2
Net Charge0
Average Mass434.418
Monoisotopic Mass433.16164
SMILESCCC[N+](CC)(CC)CCOC(=O)C(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C23H32NO2.BrH/c1-4-17-24(5-2,6-3)18-19-26-23(25)22(20-13-9-7-10-14-20)21-15-11-8-12-16-21;/h7-16,22H,4-6,17-19H2,1-3H3;1H/q+1;/p-1
InChIKeyXYNTWLNZQXOKPR-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
penotonium bromide (CHEBI:59067) has part penotonium cation (CHEBI:59068)
penotonium bromide (CHEBI:59067) is a carboxylic ester (CHEBI:33308)
penotonium bromide (CHEBI:59067) is a quaternary ammonium salt (CHEBI:35273)
IUPAC Name 
N-[2-(2,2-diphenylacetoxy)ethyl]-N,N-diethylpropan-1-aminium bromide
Synonyms  Source
Penotonium-BrChEBI
N-{2-[(diphenylacetyl)oxy]ethyl}-N,N-diethylpropan-1-aminium bromideIUPAC
[2-(2,2-diphenylacetoxy)ethyl](diethyl)(propyl)ammonium bromideChEBI
Citations