methyl-[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-[(4-methylsulfanylphenyl)methyl]azanium

Systemtic Name: methyl-[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: methyl-[2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl]-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: methyl-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: methyl-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: [2-keto-2-(2-methyl-5-nitro-anilino)ethyl]-methyl-[4-(methylthio)benzyl]ammonium Formula: C18H22N3O3S+ MolecularWeight: 360.45058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+](C)CC2=CC=C(C=C2)SC

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+](C)CC2=CC=C(C=C2)SC

InChI

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