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CHEBI:76017 - vortioxetine(1+)

ChEBI IDCHEBI:76017
ChEBI Namevortioxetine(1+)
Stars
DefinitionAn organic cation that is the conjugate acid of vortioxetine, obtained by protonation of the secondary amino function.
Last Modified6 November 2013
SubmitterSteve
DownloadsMolfile
FormulaC18H23N2S
Net Charge+1
Average Mass299.463
Monoisotopic Mass299.15765
SMILESCc1ccc(Sc2ccccc2N2CC[NH2+]CC2)c(C)c1
InChIInChI=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
InChIKeyYQNWZWMKLDQSAC-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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 cationChEBI