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CHEBI:61236 - flavoxate(1+)

ChEBI IDCHEBI:61236
ChEBI Nameflavoxate(1+)
Stars
DefinitionA piperidinium ion resulting from the protonation of the nitrogen atom of flavoxate.
Last Modified4 February 2013
SubmitterGareth Owen
DownloadsMolfile
FormulaC24H26NO4
Net Charge+1
Average Mass392.475
Monoisotopic Mass392.18563
SMILESCc1c(-c2ccccc2)oc2c(C(=O)OCC[NH+]3CCCCC3)cccc2c1=O
InChIInChI=1S/C24H25NO4/c1-17-21(26)19-11-8-12-20(23(19)29-22(17)18-9-4-2-5-10-18)24(27)28-16-15-25-13-6-3-7-14-25/h2,4-5,8-12H,3,6-7,13-16H2,1H3/p+1
InChIKeySPIUTQOUKAMGCX-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
flavoxate(1+) (CHEBI:61236) is a piperidinium ion (CHEBI:48633)
flavoxate(1+) (CHEBI:61236) is conjugate acid of flavoxate (CHEBI:5088)
Incoming Relation(s)
flavoxate hydrochloride (CHEBI:5089) has part flavoxate(1+) (CHEBI:61236)
flavoxate (CHEBI:5088) is conjugate base of flavoxate(1+) (CHEBI:61236)
IUPAC Name 
1-(2-{[(3-methyl-4-oxo-2-phenyl-4H-chromen-8-yl)carbonyl]oxy}ethyl)piperidinium
Synonym  Source
flavoxate cationChEBI