(4-chlorophenyl)methyl-methyl-[(2S)-1-[(2-methylsulfanylphenyl)amino]-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: (4-chlorophenyl)methyl-methyl-[(2S)-1-[(2-methylsulfanylphenyl)amino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: (4-chlorophenyl)methyl-methyl-[(1S)-1-methyl-2-(2-methylsulfanylanilino)-2-oxo-ethyl]ammonium CAS Name: (4-chlorophenyl)methyl-methyl-[(2S)-1-[2-(methylthio)anilino]-1-oxopropan-2-yl]ammonium IUPAC Name: (4-chlorophenyl)methyl-methyl-[(2S)-1-(2-methylsulfanylanilino)-1-oxopropan-2-yl]azanium Traditional Name: (4-chlorobenzyl)-[(1S)-2-keto-1-methyl-2-[2-(methylthio)anilino]ethyl]-methyl-ammonium Formula: C18H22ClN2OS+ MolecularWeight: 349.89808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1SC)[NH+](C)CC2=CC=C(C=C2)Cl

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1SC)[NH+](C)CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H21ClN2OS/c1-13(21(2)12-14-8-10-15(19)11-9-14)18(22)20-16-6-4-5-7-17(16)23-3/h4-11,13H,12H2,1-3H3,(H,20,22)/p+1/t13-/m0/s1