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

Systemtic Name: ethyl (3S)-1-[3-(phenylcarbonyl)quinolin-1-ium-4-yl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(3-benzoylquinolin-1-ium-4-yl)piperidine-3-carboxylate CAS Name: (3S)-1-(3-benzoyl-4-quinolin-1-iumyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(3-benzoylquinolin-1-ium-4-yl)piperidine-3-carboxylate Traditional Name: (3S)-1-(3-benzoylquinolin-1-ium-4-yl)nipecotic acid ethyl ester Formula: C24H25N2O3+ MolecularWeight: 389.4669

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C=[NH+]C3=CC=CC=C32)C(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C2=C(C=[NH+]C3=CC=CC=C32)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H24N2O3/c1-2-29-24(28)18-11-8-14-26(16-18)22-19-12-6-7-13-21(19)25-15-20(22)23(27)17-9-4-3-5-10-17/h3-7,9-10,12-13,15,18H,2,8,11,14,16H2,1H3/p+1/t18-/m0/s1