(3R)-1-[(2S)-1-[(2-methylsulfanylphenyl)amino]-1-oxidanylidene-propan-2-yl]-N-phenyl-piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-1-[(2S)-1-[(2-methylsulfanylphenyl)amino]-1-oxidanylidene-propan-2-yl]-N-phenyl-piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[(1S)-1-methyl-2-(2-methylsulfanylanilino)-2-oxo-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[(2S)-1-[2-(methylthio)anilino]-1-oxopropan-2-yl]-N-phenyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[(2S)-1-(2-methylsulfanylanilino)-1-oxopropan-2-yl]-N-phenylpiperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[(1S)-2-keto-1-methyl-2-[2-(methylthio)anilino]ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide Formula: C22H28N3O2S+ MolecularWeight: 398.54162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1SC)[NH+]2CCCC(C2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1SC)[NH+]2CCC[C@H](C2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O2S/c1-16(21(26)24-19-12-6-7-13-20(19)28-2)25-14-8-9-17(15-25)22(27)23-18-10-4-3-5-11-18/h3-7,10-13,16-17H,8-9,14-15H2,1-2H3,(H,23,27)(H,24,26)/p+1/t16-,17+/m0/s1