CHEBI:84508 - varenicline(1+)

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ChEBI Name varenicline(1+)
ChEBI ID CHEBI:84508
Definition An organic cation obtained by protonation of the secondary amino group of varenicline.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C13H14N3
Net Charge +1
Average Mass 212.26980
Monoisotopic Mass 212.11822
InChI InChI=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
InChIKey JQSHBVHOMNKWFT-UHFFFAOYSA-O
SMILES C1C2C[NH2+]CC1c1cc3nccnc3cc21
ChEBI Ontology
Outgoing 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 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 cation ChEBI
Last Modified
26 January 2015