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

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

C1CC(C[NH+](C1)CN2C(=S)N(C(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)F)O

Isomeric SMILES

C1C[C@H](C[NH+](C1)CN2C(=S)N(C(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)F)O

InChI

InChI=1S/C20H21FN4OS/c21-16-8-10-17(11-9-16)25-19(15-5-2-1-3-6-15)22-24(20(25)27)14-23-12-4-7-18(26)13-23/h1-3,5-6,8-11,18,26H,4,7,12-14H2/p+1/t18-/m1/s1