ethyl (3R)-1-(4-methyl-8-methylsulfanyl-quinolin-1-ium-2-yl)piperidine-3-carboxylate

Systemtic Name: ethyl (3R)-1-(4-methyl-8-methylsulfanyl-quinolin-1-ium-2-yl)piperidine-3-carboxylate Openeye Name: ethyl (3R)-1-(4-methyl-8-methylsulfanyl-quinolin-1-ium-2-yl)piperidine-3-carboxylate CAS Name: (3R)-1-[4-methyl-8-(methylthio)-2-quinolin-1-iumyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-(4-methyl-8-methylsulfanylquinolin-1-ium-2-yl)piperidine-3-carboxylate Traditional Name: (3R)-1-[4-methyl-8-(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=CC=C3SC)C(=C2)C

Isomeric SMILES

CCOC(=O)[C@@H]1CCCN(C1)C2=[NH+]C3=C(C=CC=C3SC)C(=C2)C

InChI

InChI=1S/C19H24N2O2S/c1-4-23-19(22)14-7-6-10-21(12-14)17-11-13(2)15-8-5-9-16(24-3)18(15)20-17/h5,8-9,11,14H,4,6-7,10,12H2,1-3H3/p+1/t14-/m1/s1