dimethyl-[[2-(4-methyl-2-nitro-phenyl)sulfanylphenyl]methyl]azanium

Systemtic Name: dimethyl-[[2-(4-methyl-2-nitro-phenyl)sulfanylphenyl]methyl]azanium Openeye Name: dimethyl-[[2-(4-methyl-2-nitro-phenyl)sulfanylphenyl]methyl]ammonium CAS Name: dimethyl-[[2-[(4-methyl-2-nitrophenyl)thio]phenyl]methyl]ammonium IUPAC Name: dimethyl-[[2-(4-methyl-2-nitrophenyl)sulfanylphenyl]methyl]azanium Traditional Name: dimethyl-[2-[(4-methyl-2-nitro-phenyl)thio]benzyl]ammonium Formula: C16H19N2O2S+ MolecularWeight: 303.39926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SC2=CC=CC=C2C[NH+](C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)SC2=CC=CC=C2C[NH+](C)C)[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O2S/c1-12-8-9-16(14(10-12)18(19)20)21-15-7-5-4-6-13(15)11-17(2)3/h4-10H,11H2,1-3H3/p+1