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CHEBI:70706 - vilazodone(1+)

ChEBI IDCHEBI:70706
ChEBI Namevilazodone(1+)
Stars
DefinitionAn organic cation that is the conjugate acid of vilazodone.
Last Modified15 November 2012
SubmitterSteve
DownloadsMolfile
FormulaC26H28N5O2
Net Charge+1
Average Mass442.543
Monoisotopic Mass442.22375
SMILESN#Cc1ccc2ncc(CCCC[NH+]3CCN(c4ccc5oc(C(N)=O)cc5c4)CC3)c2c1
InChIInChI=1S/C26H27N5O2/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32/h4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32)/p+1
InChIKeySGEGOXDYSFKCPT-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
vilazodone(1+) (CHEBI:70706) is a organic cation (CHEBI:25697)
vilazodone(1+) (CHEBI:70706) is conjugate acid of vilazodone (CHEBI:70707)
Incoming Relation(s)
vilazodone hydrochloride (CHEBI:70705) has part vilazodone(1+) (CHEBI:70706)
vilazodone (CHEBI:70707) is conjugate base of vilazodone(1+) (CHEBI:70706)
IUPAC Name 
4-(2-carbamoyl-1-benzofuran-5-yl)-1-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-ium
Synonym  Source
vilazodone cationChEBI