[2-[2-azanyl-4-(trifluoromethyl)phenyl]sulfanyl-5-fluoranyl-phenyl]methyl-dimethyl-azanium

Systemtic Name: [2-[2-azanyl-4-(trifluoromethyl)phenyl]sulfanyl-5-fluoranyl-phenyl]methyl-dimethyl-azanium Openeye Name: [2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-5-fluoro-phenyl]methyl-dimethyl-ammonium CAS Name: [2-[[2-amino-4-(trifluoromethyl)phenyl]thio]-5-fluorophenyl]methyl-dimethylammonium IUPAC Name: [2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-5-fluorophenyl]methyl-dimethylazanium Traditional Name: [2-[[2-amino-4-(trifluoromethyl)phenyl]thio]-5-fluoro-benzyl]-dimethyl-ammonium Formula: C16H17F4N2S+ MolecularWeight: 345.378193

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=C(C=CC(=C1)F)SC2=C(C=C(C=C2)C(F)(F)F)N

Isomeric SMILES

C[NH+](C)CC1=C(C=CC(=C1)F)SC2=C(C=C(C=C2)C(F)(F)F)N

InChI

InChI=1S/C16H16F4N2S/c1-22(2)9-10-7-12(17)4-6-14(10)23-15-5-3-11(8-13(15)21)16(18,19)20/h3-8H,9,21H2,1-2H3/p+1