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

Systemtic Name: ethyl 1-[3-(4-ethoxyphenyl)carbonyl-6-methoxy-quinolin-1-ium-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[3-(4-ethoxybenzoyl)-6-methoxy-quinolin-1-ium-4-yl]piperidine-4-carboxylate CAS Name: 1-[3-[(4-ethoxyphenyl)-oxomethyl]-6-methoxy-4-quinolin-1-iumyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(4-ethoxybenzoyl)-6-methoxyquinolin-1-ium-4-yl]piperidine-4-carboxylate Traditional Name: 1-[3-(4-ethoxybenzoyl)-6-methoxy-quinolin-1-ium-4-yl]isonipecotic acid ethyl ester Formula: C27H31N2O5+ MolecularWeight: 463.54544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C2=C[NH+]=C3C=CC(=CC3=C2N4CCC(CC4)C(=O)OCC)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)C2=C[NH+]=C3C=CC(=CC3=C2N4CCC(CC4)C(=O)OCC)OC

InChI

InChI=1S/C27H30N2O5/c1-4-33-20-8-6-18(7-9-20)26(30)23-17-28-24-11-10-21(32-3)16-22(24)25(23)29-14-12-19(13-15-29)27(31)34-5-2/h6-11,16-17,19H,4-5,12-15H2,1-3H3/p+1