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

Systemtic Name: 5-(4-fluorophenyl)-4-methyl-2-[[(3R)-3-oxidanylpiperidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 5-(4-fluorophenyl)-2-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione CAS Name: 5-(4-fluorophenyl)-2-[[(3R)-3-hydroxy-1-piperidin-1-iumyl]methyl]-4-methyl-1,2,4-triazole-3-thione IUPAC Name: 5-(4-fluorophenyl)-2-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione Traditional Name: 5-(4-fluorophenyl)-2-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione Formula: C15H20FN4OS+ MolecularWeight: 323.408903

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCCC(C2)O)C3=CC=C(C=C3)F

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCC[C@H](C2)O)C3=CC=C(C=C3)F

InChI

InChI=1S/C15H19FN4OS/c1-18-14(11-4-6-12(16)7-5-11)17-20(15(18)22)10-19-8-2-3-13(21)9-19/h4-7,13,21H,2-3,8-10H2,1H3/p+1/t13-/m1/s1