ethyl (3S)-1-[(1R)-2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(1R)-2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenyl-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(1R)-2-(2,5-dimethylanilino)-2-keto-1-phenyl-ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C24H31N2O3+ MolecularWeight: 395.51454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)C(C2=CC=CC=C2)C(=O)NC3=C(C=CC(=C3)C)C

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)[C@H](C2=CC=CC=C2)C(=O)NC3=C(C=CC(=C3)C)C

InChI

InChI=1S/C24H30N2O3/c1-4-29-24(28)20-11-8-14-26(16-20)22(19-9-6-5-7-10-19)23(27)25-21-15-17(2)12-13-18(21)3/h5-7,9-10,12-13,15,20,22H,4,8,11,14,16H2,1-3H3,(H,25,27)/p+1/t20-,22+/m0/s1