[2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium

Systemtic Name: [2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: [2-(4-chloro-3-nitro-anilino)-2-oxo-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: [2-(4-chloro-3-nitroanilino)-2-oxoethyl]-methyl-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: [2-(4-chloro-3-nitroanilino)-2-oxoethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: [2-(4-chloro-3-nitro-anilino)-2-keto-ethyl]-methyl-[4-(methylthio)benzyl]ammonium Formula: C17H19ClN3O3S+ MolecularWeight: 380.86906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN3O3S/c1-20(10-12-3-6-14(25-2)7-4-12)11-17(22)19-13-5-8-15(18)16(9-13)21(23)24/h3-9H,10-11H2,1-2H3,(H,19,22)/p+1