ethyl 1-[(2R)-1-oxidanylidene-1-[(2-phenylsulfanylphenyl)amino]propan-2-yl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(2R)-1-oxidanylidene-1-[(2-phenylsulfanylphenyl)amino]propan-2-yl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(1R)-1-methyl-2-oxo-2-(2-phenylsulfanylanilino)ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2R)-1-oxo-1-[2-(phenylthio)anilino]propan-2-yl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2R)-1-oxo-1-(2-phenylsulfanylanilino)propan-2-yl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1R)-2-keto-1-methyl-2-[2-(phenylthio)anilino]ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C23H29N2O3S+ MolecularWeight: 413.55296

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)C(C)C(=O)NC2=CC=CC=C2SC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)[C@H](C)C(=O)NC2=CC=CC=C2SC3=CC=CC=C3

InChI

InChI=1S/C23H28N2O3S/c1-3-28-23(27)18-13-15-25(16-14-18)17(2)22(26)24-20-11-7-8-12-21(20)29-19-9-5-4-6-10-19/h4-12,17-18H,3,13-16H2,1-2H3,(H,24,26)/p+1/t17-/m1/s1