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

Systemtic Name: ethyl 1-[6-methoxy-3-(phenylcarbonyl)quinolin-1-ium-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-(3-benzoyl-6-methoxy-quinolin-1-ium-4-yl)piperidine-4-carboxylate CAS Name: 1-(3-benzoyl-6-methoxy-4-quinolin-1-iumyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-benzoyl-6-methoxyquinolin-1-ium-4-yl)piperidine-4-carboxylate Traditional Name: 1-(3-benzoyl-6-methoxy-quinolin-1-ium-4-yl)isonipecotic acid ethyl ester Formula: C25H27N2O4+ MolecularWeight: 419.49288

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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=CC=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O4/c1-3-31-25(29)18-11-13-27(14-12-18)23-20-15-19(30-2)9-10-22(20)26-16-21(23)24(28)17-7-5-4-6-8-17/h4-10,15-16,18H,3,11-14H2,1-2H3/p+1