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CHEBI:77571 - tropisetron(1+)

ChEBI IDCHEBI:77571
ChEBI Nametropisetron(1+)
Stars
DefinitionAn organic cation that is the conjugate acid of tropisetron, obtained by protonation of the tertiary amino group.
Last Modified4 March 2014
SubmitterSteve
DownloadsMolfile
FormulaC17H21N2O2
Net Charge+1
Average Mass285.367
Monoisotopic Mass285.15975
SMILES[H][C@]12CC[C@]([H])(C[C@H](OC(=O)c3cnc4ccccc34)C1)[NH+]2C
InChIInChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/p+1/t11-,12+,13+
InChIKeyZNRGQMMCGHDTEI-ITGUQSILSA-O
ChEBI Ontology
Outgoing Relation(s)
tropisetron(1+) (CHEBI:77571) is a ammonium ion derivative (CHEBI:35274)
tropisetron(1+) (CHEBI:77571) is a organic cation (CHEBI:25697)
tropisetron(1+) (CHEBI:77571) is conjugate acid of tropisetron (CHEBI:32269)
Incoming Relation(s)
tropisetron hydrochloride (CHEBI:77570) has part tropisetron(1+) (CHEBI:77571)
tropisetron (CHEBI:32269) is conjugate base of tropisetron(1+) (CHEBI:77571)
IUPAC Name 
(3-endo,8-syn)-3-[(1H-indol-3-ylcarbonyl)oxy]-8-methyl-8-azoniabicyclo[3.2.1]octane
Synonym  Source
tropisetron cationChEBI