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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C3C=C(C=CC3=[NH+]C=C2C(=O)C4=CC=CC=C4)OC

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C2=C3C=C(C=CC3=[NH+]C=C2C(=O)C4=CC=CC=C4)OC

InChI

InChI=1S/C25H26N2O4/c1-3-31-25(29)18-10-7-13-27(16-18)23-20-14-19(30-2)11-12-22(20)26-15-21(23)24(28)17-8-5-4-6-9-17/h4-6,8-9,11-12,14-15,18H,3,7,10,13,16H2,1-2H3/p+1/t18-/m0/s1