[2-(5-fluoranyl-4-methyl-2-nitro-phenyl)sulfanylphenyl]methyl-dimethyl-azanium

Systemtic Name: [2-(5-fluoranyl-4-methyl-2-nitro-phenyl)sulfanylphenyl]methyl-dimethyl-azanium Openeye Name: [2-(5-fluoro-4-methyl-2-nitro-phenyl)sulfanylphenyl]methyl-dimethyl-ammonium CAS Name: [2-[(5-fluoro-4-methyl-2-nitrophenyl)thio]phenyl]methyl-dimethylammonium IUPAC Name: [2-(5-fluoro-4-methyl-2-nitrophenyl)sulfanylphenyl]methyl-dimethylazanium Traditional Name: [2-[(5-fluoro-4-methyl-2-nitro-phenyl)thio]benzyl]-dimethyl-ammonium Formula: C16H18FN2O2S+ MolecularWeight: 321.389723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1F)SC2=CC=CC=C2C[NH+](C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1F)SC2=CC=CC=C2C[NH+](C)C)[N+](=O)[O-]

InChI

InChI=1S/C16H17FN2O2S/c1-11-8-14(19(20)21)16(9-13(11)17)22-15-7-5-4-6-12(15)10-18(2)3/h4-9H,10H2,1-3H3/p+1