ethyl 1-(3-cyano-7-methoxy-quinolin-1-ium-2-yl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-(3-cyano-7-methoxy-quinolin-1-ium-2-yl)piperidine-4-carboxylate Openeye Name: ethyl 1-(3-cyano-7-methoxy-quinolin-1-ium-2-yl)piperidine-4-carboxylate CAS Name: 1-(3-cyano-7-methoxy-2-quinolin-1-iumyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-cyano-7-methoxyquinolin-1-ium-2-yl)piperidine-4-carboxylate Traditional Name: 1-(3-cyano-7-methoxy-quinolin-1-ium-2-yl)isonipecotic acid ethyl ester Formula: C19H22N3O3+ MolecularWeight: 340.39628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=[NH+]C3=C(C=CC(=C3)OC)C=C2C#N

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=[NH+]C3=C(C=CC(=C3)OC)C=C2C#N

InChI

InChI=1S/C19H21N3O3/c1-3-25-19(23)13-6-8-22(9-7-13)18-15(12-20)10-14-4-5-16(24-2)11-17(14)21-18/h4-5,10-11,13H,3,6-9H2,1-2H3/p+1