ethyl 2-oxidanylidene-1-[1-(phenylmethyl)piperidin-4-yl]quinolin-1-ium-1-carboxylate

Systemtic Name: ethyl 2-oxidanylidene-1-[1-(phenylmethyl)piperidin-4-yl]quinolin-1-ium-1-carboxylate Openeye Name: ethyl 1-(1-benzyl-4-piperidyl)-2-oxo-quinolin-1-ium-1-carboxylate CAS Name: 2-oxo-1-[1-(phenylmethyl)-4-piperidinyl]-1-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1-benzylpiperidin-4-yl)-2-oxoquinolin-1-ium-1-carboxylate Traditional Name: 1-(1-benzyl-4-piperidyl)-2-keto-quinolin-1-ium-1-carboxylic acid ethyl ester Formula: C24H27N2O3+ MolecularWeight: 391.48278

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)[N+]1(C(=O)C=CC2=CC=CC=C21)C3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)[N+]1(C(=O)C=CC2=CC=CC=C21)C3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H27N2O3/c1-2-29-24(28)26(22-11-7-6-10-20(22)12-13-23(26)27)21-14-16-25(17-15-21)18-19-8-4-3-5-9-19/h3-13,21H,2,14-18H2,1H3/q+1