ethyl 1-[2-[(4-chloranyl-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl]-4-phenyl-piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[2-[(4-chloranyl-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl]-4-phenyl-piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-(4-chloro-2-methoxy-anilino)-2-oxo-ethyl]-4-phenyl-piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(4-chloro-2-methoxyanilino)-2-oxoethyl]-4-phenyl-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-chloro-2-methoxyanilino)-2-oxoethyl]-4-phenylpiperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(4-chloro-2-methoxy-anilino)-2-keto-ethyl]-4-phenyl-piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C23H28ClN2O4+ MolecularWeight: 431.93242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC(=O)NC2=C(C=C(C=C2)Cl)OC)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC(=O)NC2=C(C=C(C=C2)Cl)OC)C3=CC=CC=C3

InChI

InChI=1S/C23H27ClN2O4/c1-3-30-22(28)23(17-7-5-4-6-8-17)11-13-26(14-12-23)16-21(27)25-19-10-9-18(24)15-20(19)29-2/h4-10,15H,3,11-14,16H2,1-2H3,(H,25,27)/p+1