[(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium

Systemtic Name: [(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: [(1R)-2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl]-methyl-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: [(1R)-2-(3-cyanoanilino)-2-keto-1-methyl-ethyl]-methyl-[4-(methylthio)benzyl]ammonium Formula: C19H22N3OS+ MolecularWeight: 340.46248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)[NH+](C)CC2=CC=C(C=C2)SC

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC(=C1)C#N)[NH+](C)CC2=CC=C(C=C2)SC

InChI

InChI=1S/C19H21N3OS/c1-14(19(23)21-17-6-4-5-16(11-17)12-20)22(2)13-15-7-9-18(24-3)10-8-15/h4-11,14H,13H2,1-3H3,(H,21,23)/p+1/t14-/m1/s1