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

Systemtic Name: ethyl 1-(4-methyl-8-methylsulfanyl-quinolin-1-ium-2-yl)piperidine-4-carboxylate Openeye Name: ethyl 1-(4-methyl-8-methylsulfanyl-quinolin-1-ium-2-yl)piperidine-4-carboxylate CAS Name: 1-[4-methyl-8-(methylthio)-2-quinolin-1-iumyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-methyl-8-methylsulfanylquinolin-1-ium-2-yl)piperidine-4-carboxylate Traditional Name: 1-[4-methyl-8-(methylthio)quinolin-1-ium-2-yl]isonipecotic acid ethyl ester Formula: C19H25N2O2S+ MolecularWeight: 345.479

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=[NH+]C3=C(C=CC=C3SC)C(=C2)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=[NH+]C3=C(C=CC=C3SC)C(=C2)C

InChI

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