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

Systemtic Name: ethyl (3R)-1-[(1S)-2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-[(1S)-2-(2-methoxy-5-methyl-anilino)-2-oxo-1-phenyl-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-[(1S)-2-keto-2-(2-methoxy-5-methyl-anilino)-1-phenyl-ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C24H31N2O4+ MolecularWeight: 411.51394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O4/c1-4-30-24(28)19-11-8-14-26(16-19)22(18-9-6-5-7-10-18)23(27)25-20-15-17(2)12-13-21(20)29-3/h5-7,9-10,12-13,15,19,22H,4,8,11,14,16H2,1-3H3,(H,25,27)/p+1/t19-,22+/m1/s1