[4-(4-fluorophenyl)-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium

Systemtic Name: [4-(4-fluorophenyl)-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Openeye Name: [4-(4-fluorophenyl)-3-phenyl-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium CAS Name: [4-(4-fluorophenyl)-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-(1-methyl-4-piperidin-1-iumyl)ammonium IUPAC Name: [4-(4-fluorophenyl)-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Traditional Name: [4-(4-fluorophenyl)-3-phenyl-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium Formula: C22H28FN5S+2 MolecularWeight: 413.554623

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+](C)CN2C(=S)N(C(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+](C)CN2C(=S)N(C(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H26FN5S/c1-25-14-12-19(13-15-25)26(2)16-27-22(29)28(20-10-8-18(23)9-11-20)21(24-27)17-6-4-3-5-7-17/h3-11,19H,12-16H2,1-2H3/p+2