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CHEBI:59068 - penotonium cation

ChEBI IDCHEBI:59068
ChEBI Namepenotonium cation
Stars
DefinitionA carboxylic ester having diphenylacetic acid as the carboxylic acid component and a 2-(trialkylammonium)ethanol as the alcohol component.
Last Modified6 April 2010
SubmitterSteve
DownloadsMolfile
FormulaC23H32NO2
Net Charge+1
Average Mass354.514
Monoisotopic Mass354.24276
SMILESCCC[N+](CC)(CC)CCOC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H32NO2/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/q+1
InChIKeyOVDHXXNKOQAGFQ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
penotonium cation (CHEBI:59068) is a quaternary ammonium ion (CHEBI:35267)
Incoming Relation(s)
penotonium bromide (CHEBI:59067) has part penotonium cation (CHEBI:59068)
IUPAC Name 
N-[2-(2,2-diphenylacetoxy)ethyl]-N,N-diethylpropan-1-aminium
Synonym  Source
penotonium ionChEBI