ethyl 1-(4-methyl-6-methylsulfanyl-quinolin-1-ium-2-yl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-(4-methyl-6-methylsulfanyl-quinolin-1-ium-2-yl)piperidine-4-carboxylate Openeye Name: ethyl 1-(4-methyl-6-methylsulfanyl-quinolin-1-ium-2-yl)piperidine-4-carboxylate CAS Name: 1-[4-methyl-6-(methylthio)-2-quinolin-1-iumyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-methyl-6-methylsulfanylquinolin-1-ium-2-yl)piperidine-4-carboxylate Traditional Name: 1-[4-methyl-6-(methylthio)quinolin-1-ium-2-yl]isonipecotic acid ethyl ester Formula: C19H25N2O2S+ MolecularWeight: 345.479

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=[NH+]C3=C(C=C(C=C3)SC)C(=C2)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=[NH+]C3=C(C=C(C=C3)SC)C(=C2)C

InChI

InChI=1S/C19H24N2O2S/c1-4-23-19(22)14-7-9-21(10-8-14)18-11-13(2)16-12-15(24-3)5-6-17(16)20-18/h5-6,11-12,14H,4,7-10H2,1-3H3/p+1