4-(4-fluorophenyl)-2-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]-5-phenyl-1,2,4-triazole-3-thione

Systemtic Name: 4-(4-fluorophenyl)-2-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]-5-phenyl-1,2,4-triazole-3-thione Openeye Name: 4-(4-fluorophenyl)-2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-5-phenyl-1,2,4-triazole-3-thione CAS Name: 4-(4-fluorophenyl)-2-[(4-hydroxy-1-piperidin-1-iumyl)methyl]-5-phenyl-1,2,4-triazole-3-thione IUPAC Name: 4-(4-fluorophenyl)-2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-5-phenyl-1,2,4-triazole-3-thione Traditional Name: 4-(4-fluorophenyl)-2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-5-phenyl-1,2,4-triazole-3-thione Formula: C20H22FN4OS+ MolecularWeight: 385.478283

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1O)CN2C(=S)N(C(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

C1C[NH+](CCC1O)CN2C(=S)N(C(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H21FN4OS/c21-16-6-8-17(9-7-16)25-19(15-4-2-1-3-5-15)22-24(20(25)27)14-23-12-10-18(26)11-13-23/h1-9,18,26H,10-14H2/p+1