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

Systemtic Name: ethyl 1-[6-ethyl-3-(phenylcarbonyl)quinolin-1-ium-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-(3-benzoyl-6-ethyl-quinolin-1-ium-4-yl)piperidine-4-carboxylate CAS Name: 1-(3-benzoyl-6-ethyl-4-quinolin-1-iumyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-benzoyl-6-ethylquinolin-1-ium-4-yl)piperidine-4-carboxylate Traditional Name: 1-(3-benzoyl-6-ethyl-quinolin-1-ium-4-yl)isonipecotic acid ethyl ester Formula: C26H29N2O3+ MolecularWeight: 417.52006

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C(=C[NH+]=C2C=C1)C(=O)C3=CC=CC=C3)N4CCC(CC4)C(=O)OCC

Isomeric SMILES

CCC1=CC2=C(C(=C[NH+]=C2C=C1)C(=O)C3=CC=CC=C3)N4CCC(CC4)C(=O)OCC

InChI

InChI=1S/C26H28N2O3/c1-3-18-10-11-23-21(16-18)24(28-14-12-20(13-15-28)26(30)31-4-2)22(17-27-23)25(29)19-8-6-5-7-9-19/h5-11,16-17,20H,3-4,12-15H2,1-2H3/p+1