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CHEBI:64201 - carmoxirole(1+)

ChEBI IDCHEBI:64201
ChEBI Namecarmoxirole(1+)
Stars
DefinitionAn organic cation that is the conjugate acid of carmoxirole, arising from protonation of the tertiary amino group.
Last Modified16 March 2012
SubmitterSteve
DownloadsMolfile
FormulaC24H27N2O2
Net Charge+1
Average Mass375.492
Monoisotopic Mass375.20670
SMILESO=C(O)c1ccc2ncc(CCCC[NH+]3CC=C(c4ccccc4)CC3)c2c1
InChIInChI=1S/C24H26N2O2/c27-24(28)20-9-10-23-22(16-20)21(17-25-23)8-4-5-13-26-14-11-19(12-15-26)18-6-2-1-3-7-18/h1-3,6-7,9-11,16-17,25H,4-5,8,12-15H2,(H,27,28)/p+1
InChIKeyAFSOIHMEOKEZJF-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
carmoxirole(1+) (CHEBI:64201) is a ammonium ion derivative (CHEBI:35274)
carmoxirole(1+) (CHEBI:64201) is a organic cation (CHEBI:25697)
carmoxirole(1+) (CHEBI:64201) is conjugate acid of carmoxirole (CHEBI:64200)
Incoming Relation(s)
carmoxirole hydrochloride (CHEBI:64199) has part carmoxirole(1+) (CHEBI:64201)
carmoxirole (CHEBI:64200) is conjugate base of carmoxirole(1+) (CHEBI:64201)
IUPAC Name 
1-[4-(5-carboxy-1H-indol-3-yl)butyl]-4-phenyl-1,2,3,6-tetrahydropyridinium
Synonym  Source
carmoxirole cationChEBI