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

Systemtic Name: 5-(4-chlorophenyl)-2-[[(3R)-3-oxidanylpiperidin-1-ium-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione Openeye Name: 5-(4-chlorophenyl)-2-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione CAS Name: 5-(4-chlorophenyl)-2-[[(3R)-3-hydroxy-1-piperidin-1-iumyl]methyl]-4-phenyl-1,2,4-triazole-3-thione IUPAC Name: 5-(4-chlorophenyl)-2-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione Traditional Name: 5-(4-chlorophenyl)-2-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione Formula: C20H22ClN4OS+ MolecularWeight: 401.93288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN4OS/c21-16-10-8-15(9-11-16)19-22-24(14-23-12-4-7-18(26)13-23)20(27)25(19)17-5-2-1-3-6-17/h1-3,5-6,8-11,18,26H,4,7,12-14H2/p+1/t18-/m1/s1