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

Systemtic Name: [(2R)-1-[(3-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: [(1R)-2-(3-acetylanilino)-1-methyl-2-oxo-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl]-methyl-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: [(1R)-2-(3-acetylanilino)-2-keto-1-methyl-ethyl]-methyl-[4-(methylthio)benzyl]ammonium Formula: C20H25N2O2S+ MolecularWeight: 357.4897

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O2S/c1-14(22(3)13-16-8-10-19(25-4)11-9-16)20(24)21-18-7-5-6-17(12-18)15(2)23/h5-12,14H,13H2,1-4H3,(H,21,24)/p+1/t14-/m1/s1