ethyl 1-[(1R)-2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(1R)-2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(1R)-2-(3-chloro-4-methyl-anilino)-2-oxo-1-phenyl-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(1R)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(1R)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1R)-2-(3-chloro-4-methyl-anilino)-2-keto-1-phenyl-ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C23H28ClN2O3+ MolecularWeight: 415.93302

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)C(C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)C)Cl

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)[C@H](C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)C)Cl

InChI

InChI=1S/C23H27ClN2O3/c1-3-29-23(28)18-11-13-26(14-12-18)21(17-7-5-4-6-8-17)22(27)25-19-10-9-16(2)20(24)15-19/h4-10,15,18,21H,3,11-14H2,1-2H3,(H,25,27)/p+1/t21-/m1/s1