ethyl 1-[(1R)-2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(1R)-2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenyl-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1R)-2-(2,5-dimethylanilino)-2-keto-1-phenyl-ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C24H31N2O3+ MolecularWeight: 395.51454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O3/c1-4-29-24(28)20-12-14-26(15-13-20)22(19-8-6-5-7-9-19)23(27)25-21-16-17(2)10-11-18(21)3/h5-11,16,20,22H,4,12-15H2,1-3H3,(H,25,27)/p+1/t22-/m1/s1