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

Systemtic Name: (3R)-1-[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[2-(3-methylsulfanylanilino)-2-oxo-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[2-[3-(methylthio)anilino]-2-oxoethyl]-N-phenyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[2-(3-methylsulfanylanilino)-2-oxoethyl]-N-phenylpiperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[2-keto-2-[3-(methylthio)anilino]ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide Formula: C21H26N3O2S+ MolecularWeight: 384.51504

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C[NH+]2CCCC(C2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C[NH+]2CCC[C@H](C2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O2S/c1-27-19-11-5-10-18(13-19)22-20(25)15-24-12-6-7-16(14-24)21(26)23-17-8-3-2-4-9-17/h2-5,8-11,13,16H,6-7,12,14-15H2,1H3,(H,22,25)(H,23,26)/p+1/t16-/m1/s1