CHEBI:77615 - terbinafine(1+)

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ChEBI Name terbinafine(1+)
ChEBI ID CHEBI:77615
Definition An organic cation that is the conjugate acid of terbinafine, obtained by protonation of the amino group; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C21H26N
Net Charge +1
Average Mass 292.43730
Monoisotopic Mass 292.20598
InChI InChI=1S/C21H25N/c1-21(2,3)15-8-5-9-16-22(4)17-19-13-10-12-18-11-6-7-14-20(18)19/h5-7,9-14H,16-17H2,1-4H3/p+1/b9-5+
InChIKey DOMXUEMWDBAQBQ-WEVVVXLNSA-O
SMILES C[NH+](C\C=C\C#CC(C)(C)C)Cc1cccc2ccccc12
ChEBI Ontology
Outgoing terbinafine(1+) (CHEBI:77615) is a ammonium ion derivative (CHEBI:35274)
terbinafine(1+) (CHEBI:77615) is a organic cation (CHEBI:25697)
terbinafine(1+) (CHEBI:77615) is conjugate acid of terbinafine (CHEBI:9448)
Incoming terbinafine hydrochloride (CHEBI:77614) has part terbinafine(1+) (CHEBI:77615)
terbinafine (CHEBI:9448) is conjugate base of terbinafine(1+) (CHEBI:77615)
IUPAC Name
(2E)-N,6,6-trimethyl-N-(1-naphthylmethyl)hept-2-en-4-yn-1-aminium
Synonym Source
terbinafine cation ChEBI
Last Modified
24 July 2015