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CHEBI:149471 - pethidine(1+)

ChEBI IDCHEBI:149471
ChEBI Namepethidine(1+)
Stars
DefinitionAn ammonium ion derivative that is the conjugate acid of pethidine, obtained from the protonation of the piperidine moiety. It is the major microspecies at pH 7.3.
Last Modified14 April 2020
SubmitterAdnan
DownloadsMolfile
FormulaC15H22NO2
Net Charge+1
Average Mass248.346
Monoisotopic Mass248.16451
SMILESCCOC(=O)C1(c2ccccc2)CC[NH+](C)CC1
InChIInChI=1S/C15H21NO2/c1-3-18-14(17)15(9-11-16(2)12-10-15)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3/p+1
InChIKeyXADCESSVHJOZHK-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
pethidine(1+) (CHEBI:149471) is a ammonium ion derivative (CHEBI:35274)
pethidine(1+) (CHEBI:149471) is conjugate acid of pethidine (CHEBI:6754)
Incoming Relation(s)
pethidine hydrochloride (CHEBI:31984) has part pethidine(1+) (CHEBI:149471)
pethidine (CHEBI:6754) is conjugate base of pethidine(1+) (CHEBI:149471)
IUPAC Name 
4-(ethoxycarbonyl)-1-methyl-4-phenylpiperidinium
Synonym  Source
4-(ethoxycarbonyl)-1-methyl-4-phenylpiperidin-1-iumIUPAC