ethyl (3S)-1-(5,7-dimethoxy-4-methyl-quinolin-1-ium-2-yl)piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-(5,7-dimethoxy-4-methyl-quinolin-1-ium-2-yl)piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(5,7-dimethoxy-4-methyl-quinolin-1-ium-2-yl)piperidine-3-carboxylate CAS Name: (3S)-1-(5,7-dimethoxy-4-methyl-2-quinolin-1-iumyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(5,7-dimethoxy-4-methylquinolin-1-ium-2-yl)piperidine-3-carboxylate Traditional Name: (3S)-1-(5,7-dimethoxy-4-methyl-quinolin-1-ium-2-yl)nipecotic acid ethyl ester Formula: C20H27N2O4+ MolecularWeight: 359.43938

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=[NH+]C3=CC(=CC(=C3C(=C2)C)OC)OC

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C2=[NH+]C3=CC(=CC(=C3C(=C2)C)OC)OC

InChI

InChI=1S/C20H26N2O4/c1-5-26-20(23)14-7-6-8-22(12-14)18-9-13(2)19-16(21-18)10-15(24-3)11-17(19)25-4/h9-11,14H,5-8,12H2,1-4H3/p+1/t14-/m0/s1