CHEBI:77571 - tropisetron(1+)

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ChEBI Name tropisetron(1+)
ChEBI ID CHEBI:77571
Definition An organic cation that is the conjugate acid of tropisetron, obtained by protonation of the tertiary amino group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C17H21N2O2
Net Charge +1
Average Mass 285.36030
Monoisotopic Mass 285.15975
InChI InChI=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+
InChIKey ZNRGQMMCGHDTEI-ITGUQSILSA-O
SMILES C[NH+]1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c[nH]c2ccccc12
ChEBI Ontology
Outgoing 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 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 cation ChEBI
Last Modified
04 March 2014