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

Systemtic Name: methyl-[(4-methylsulfanylphenyl)methyl]-[(2R)-1-oxidanylidene-1-phenylazanyl-propan-2-yl]azanium Openeye Name: [(1R)-2-anilino-1-methyl-2-oxo-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: [(2R)-1-anilino-1-oxopropan-2-yl]-methyl-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: [(2R)-1-anilino-1-oxopropan-2-yl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: [(1R)-2-anilino-2-keto-1-methyl-ethyl]-methyl-[4-(methylthio)benzyl]ammonium Formula: C18H23N2OS+ MolecularWeight: 315.45302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2OS/c1-14(18(21)19-16-7-5-4-6-8-16)20(2)13-15-9-11-17(22-3)12-10-15/h4-12,14H,13H2,1-3H3,(H,19,21)/p+1/t14-/m1/s1