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

Systemtic Name: [2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: [2-(2-methoxy-4-nitro-anilino)-2-oxo-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: [2-(2-methoxy-4-nitroanilino)-2-oxoethyl]-methyl-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: [2-(2-methoxy-4-nitroanilino)-2-oxoethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: [2-keto-2-(2-methoxy-4-nitro-anilino)ethyl]-methyl-[4-(methylthio)benzyl]ammonium Formula: C18H22N3O4S+ MolecularWeight: 376.44998

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)SC)CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)SC)CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C18H21N3O4S/c1-20(11-13-4-7-15(26-3)8-5-13)12-18(22)19-16-9-6-14(21(23)24)10-17(16)25-2/h4-10H,11-12H2,1-3H3,(H,19,22)/p+1