methyl-[(2R)-1-[(4-methylphenyl)methylamino]-1-oxidanylidene-propan-2-yl]-[(4-methylsulfanylphenyl)methyl]azanium

Systemtic Name: methyl-[(2R)-1-[(4-methylphenyl)methylamino]-1-oxidanylidene-propan-2-yl]-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: methyl-[(1R)-1-methyl-2-oxo-2-(p-tolylmethylamino)ethyl]-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: methyl-[(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: methyl-[(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: [(1R)-2-keto-1-methyl-2-[(4-methylbenzyl)amino]ethyl]-methyl-[4-(methylthio)benzyl]ammonium Formula: C20H27N2OS+ MolecularWeight: 343.50618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C(C)[NH+](C)CC2=CC=C(C=C2)SC

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)[C@@H](C)[NH+](C)CC2=CC=C(C=C2)SC

InChI

InChI=1S/C20H26N2OS/c1-15-5-7-17(8-6-15)13-21-20(23)16(2)22(3)14-18-9-11-19(24-4)12-10-18/h5-12,16H,13-14H2,1-4H3,(H,21,23)/p+1/t16-/m1/s1