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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:84508 - varenicline(1+)
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ChEBI Ontology
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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.
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This entity has been manually annotated by the ChEBI Team.
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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-6
H
-6,10-methanoazepino[4,5-
g
]quinoxalin-8-ium
Synonym
Source
varenicline cation
ChEBI
Last Modified
26 January 2015