ethyl (3S)-1-(4-methyl-6-methylsulfanyl-quinolin-1-ium-2-yl)piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-(4-methyl-6-methylsulfanyl-quinolin-1-ium-2-yl)piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(4-methyl-6-methylsulfanyl-quinolin-1-ium-2-yl)piperidine-3-carboxylate CAS Name: (3S)-1-[4-methyl-6-(methylthio)-2-quinolin-1-iumyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(4-methyl-6-methylsulfanylquinolin-1-ium-2-yl)piperidine-3-carboxylate Traditional Name: (3S)-1-[4-methyl-6-(methylthio)quinolin-1-ium-2-yl]nipecotic acid ethyl ester Formula: C19H25N2O2S+ MolecularWeight: 345.479

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=[NH+]C3=C(C=C(C=C3)SC)C(=C2)C

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C2=[NH+]C3=C(C=C(C=C3)SC)C(=C2)C

InChI

InChI=1S/C19H24N2O2S/c1-4-23-19(22)14-6-5-9-21(12-14)18-10-13(2)16-11-15(24-3)7-8-17(16)20-18/h7-8,10-11,14H,4-6,9,12H2,1-3H3/p+1/t14-/m0/s1