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

Systemtic Name: [3-(2-fluorophenyl)-4-phenethyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Openeye Name: [3-(2-fluorophenyl)-4-phenethyl-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium CAS Name: [3-(2-fluorophenyl)-4-phenethyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-(1-methyl-4-piperidin-1-iumyl)ammonium IUPAC Name: [3-(2-fluorophenyl)-4-phenethyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Traditional Name: [3-(2-fluorophenyl)-4-phenethyl-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium Formula: C24H32FN5S+2 MolecularWeight: 441.607783

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+](C)CN2C(=S)N(C(=N2)C3=CC=CC=C3F)CCC4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+](C)CN2C(=S)N(C(=N2)C3=CC=CC=C3F)CCC4=CC=CC=C4

InChI

InChI=1S/C24H30FN5S/c1-27-15-13-20(14-16-27)28(2)18-30-24(31)29(17-12-19-8-4-3-5-9-19)23(26-30)21-10-6-7-11-22(21)25/h3-11,20H,12-18H2,1-2H3/p+2