CHEBI:70706 - vilazodone(1+)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name vilazodone(1+)
ChEBI ID CHEBI:70706
Definition An organic cation that is the conjugate acid of vilazodone.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C26H28N5O2
Net Charge +1
Average Mass 442.53280
Monoisotopic Mass 442.22375
InChI InChI=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
InChIKey SGEGOXDYSFKCPT-UHFFFAOYSA-O
SMILES NC(=O)c1cc2cc(ccc2o1)N1CC[NH+](CCCCc2c[nH]c3ccc(cc23)C#N)CC1
ChEBI Ontology
Outgoing vilazodone(1+) (CHEBI:70706) is a organic cation (CHEBI:25697)
vilazodone(1+) (CHEBI:70706) is conjugate acid of vilazodone (CHEBI:70707)
Incoming 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 cation ChEBI
Last Modified
15 November 2012