CHEBI:85387 - tiagabine(1+)

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ChEBI Name tiagabine(1+)
ChEBI ID CHEBI:85387
Definition An ammonium ion resulting from the protonation of the tertiary amino group of tiagabine.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C20H26NO2S2
Net Charge +1
Average Mass 376.55500
Monoisotopic Mass 376.13995
InChI InChI=1S/C20H25NO2S2/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23)/p+1/t16-/m1/s1
InChIKey PBJUNZJWGZTSKL-MRXNPFEDSA-O
SMILES Cc1ccsc1C(=CCC[NH+]1CCC[C@H](C1)C(O)=O)c1sccc1C
ChEBI Ontology
Outgoing tiagabine(1+) (CHEBI:85387) is a ammonium ion derivative (CHEBI:35274)
tiagabine(1+) (CHEBI:85387) is conjugate acid of tiagabine (CHEBI:9586)
Incoming tiagabine hydrochloride (CHEBI:85388) has part tiagabine(1+) (CHEBI:85387)
tiagabine (CHEBI:9586) is conjugate base of tiagabine(1+) (CHEBI:85387)
Synonym Source
(3R)-1-[4,4-bis(3-methyl-2-thienyl)but-3-en-1-yl]-3-carboxypiperidinium IUPAC
Last Modified
02 April 2015