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

Systemtic Name: 4-(4-chlorophenyl)-2-[[(3R)-3-oxidanylpiperidin-1-ium-1-yl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 4-(4-chlorophenyl)-2-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-(4-chlorophenyl)-2-[[(3R)-3-hydroxy-1-piperidin-1-iumyl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 4-(4-chlorophenyl)-2-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 4-(4-chlorophenyl)-2-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C19H21ClN5OS+ MolecularWeight: 402.92094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN5OS/c20-15-3-5-16(6-4-15)25-18(14-7-9-21-10-8-14)22-24(19(25)27)13-23-11-1-2-17(26)12-23/h3-10,17,26H,1-2,11-13H2/p+1/t17-/m1/s1