ethyl 1-[6-methoxy-3-(4-methylphenyl)carbonyl-quinolin-1-ium-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[6-methoxy-3-(4-methylphenyl)carbonyl-quinolin-1-ium-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-methoxy-3-(4-methylbenzoyl)quinolin-1-ium-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-methoxy-3-[(4-methylphenyl)-oxomethyl]-4-quinolin-1-iumyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-methoxy-3-(4-methylbenzoyl)quinolin-1-ium-4-yl]piperidine-4-carboxylate Traditional Name: 1-(6-methoxy-3-p-toluoyl-quinolin-1-ium-4-yl)isonipecotic acid ethyl ester Formula: C26H29N2O4+ MolecularWeight: 433.51946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C3C=C(C=CC3=[NH+]C=C2C(=O)C4=CC=C(C=C4)C)OC

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C3C=C(C=CC3=[NH+]C=C2C(=O)C4=CC=C(C=C4)C)OC

InChI

InChI=1S/C26H28N2O4/c1-4-32-26(30)19-11-13-28(14-12-19)24-21-15-20(31-3)9-10-23(21)27-16-22(24)25(29)18-7-5-17(2)6-8-18/h5-10,15-16,19H,4,11-14H2,1-3H3/p+1