CHEBI:76017 - vortioxetine(1+)

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ChEBI Name vortioxetine(1+)
ChEBI ID CHEBI:76017
Definition An organic cation that is the conjugate acid of vortioxetine, obtained by protonation of the secondary amino function.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C18H23N2S
Net Charge +1
Average Mass 299.45400
Monoisotopic Mass 299.15765
InChI InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3/p+1
InChIKey YQNWZWMKLDQSAC-UHFFFAOYSA-O
SMILES Cc1ccc(Sc2ccccc2N2CC[NH2+]CC2)c(C)c1
ChEBI Ontology
Outgoing vortioxetine(1+) (CHEBI:76017) is a ammonium ion derivative (CHEBI:35274)
vortioxetine(1+) (CHEBI:76017) is a organic cation (CHEBI:25697)
vortioxetine(1+) (CHEBI:76017) is conjugate acid of vortioxetine (CHEBI:76016)
Incoming vortioxetine hydrobromide (CHEBI:76015) has part vortioxetine(1+) (CHEBI:76017)
vortioxetine (CHEBI:76016) is conjugate base of vortioxetine(1+) (CHEBI:76017)
IUPAC Name
4-{2-[(2,4-dimethylphenyl)sulfanyl]phenyl}piperazin-1-ium
Synonym Source
vortioxetine cation ChEBI
Last Modified
06 November 2013