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

Systemtic Name: methyl-[(4-methylsulfanylphenyl)methyl]-[(2R)-1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: methyl-[(1R)-1-methyl-2-(4-nitroanilino)-2-oxo-ethyl]-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: methyl-[[4-(methylthio)phenyl]methyl]-[(2R)-1-(4-nitroanilino)-1-oxopropan-2-yl]ammonium IUPAC Name: methyl-[(4-methylsulfanylphenyl)methyl]-[(2R)-1-(4-nitroanilino)-1-oxopropan-2-yl]azanium Traditional Name: [(1R)-2-keto-1-methyl-2-(4-nitroanilino)ethyl]-methyl-[4-(methylthio)benzyl]ammonium Formula: C18H22N3O3S+ MolecularWeight: 360.45058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O3S/c1-13(20(2)12-14-4-10-17(25-3)11-5-14)18(22)19-15-6-8-16(9-7-15)21(23)24/h4-11,13H,12H2,1-3H3,(H,19,22)/p+1/t13-/m1/s1