EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:84508 - varenicline(1+)

ChEBI IDCHEBI:84508
ChEBI Namevarenicline(1+)
Stars
DefinitionAn organic cation obtained by protonation of the secondary amino group of varenicline.
Last Modified26 January 2015
SubmitterSteve
DownloadsMolfile
FormulaC13H14N3
Net Charge+1
Average Mass212.276
Monoisotopic Mass212.11822
SMILESc1cnc2cc3c(cc2n1)C1C[NH2+]CC3C1
InChIInChI=1S/C13H13N3/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1/h1-2,4-5,8-9,14H,3,6-7H2/p+1
InChIKeyJQSHBVHOMNKWFT-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
varenicline(1+) (CHEBI:84508) is a ammonium ion derivative (CHEBI:35274)
varenicline(1+) (CHEBI:84508) is a organic cation (CHEBI:25697)
varenicline(1+) (CHEBI:84508) is conjugate acid of varenicline (CHEBI:84500)
Incoming Relation(s)
varenicline tartrate (CHEBI:84507) has part varenicline(1+) (CHEBI:84508)
varenicline (CHEBI:84500) is conjugate base of varenicline(1+) (CHEBI:84508)
IUPAC Name 
7,8,9,10-tetrahydro-6H-6,10-methanoazepino[4,5-g]quinoxalin-8-ium
Synonym  Source
varenicline cationChEBI