CHEBI:59068 - penotonium cation

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name penotonium cation
ChEBI ID CHEBI:59068
Definition A carboxylic ester having diphenylacetic acid as the carboxylic acid component and a 2-(trialkylammonium)ethanol as the alcohol component.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB0350572, ZINC000000519823
Download Molfile XML SDF
Formula C23H32NO2
Net Charge +1
Average Mass 354.50570
Monoisotopic Mass 354.24276
InChI InChI=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
InChIKey OVDHXXNKOQAGFQ-UHFFFAOYSA-N
SMILES CCC[N+](CC)(CC)CCOC(=O)C(c1ccccc1)c1ccccc1
ChEBI Ontology
Outgoing penotonium cation (CHEBI:59068) is a quaternary ammonium ion (CHEBI:35267)
Incoming 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 ion ChEBI
Last Modified
06 April 2010