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

Systemtic Name: 2-[[(3R)-3-oxidanylpiperidin-1-ium-1-yl]methyl]-4-phenyl-5-pyridin-3-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-4-phenyl-5-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[(3R)-3-hydroxy-1-piperidin-1-iumyl]methyl]-4-phenyl-5-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 2-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-4-phenyl-5-pyridin-3-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]-4-phenyl-5-(3-pyridyl)-1,2,4-triazole-3-thione Formula: C19H22N5OS+ MolecularWeight: 368.47588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5OS/c25-17-9-5-11-22(13-17)14-23-19(26)24(16-7-2-1-3-8-16)18(21-23)15-6-4-10-20-12-15/h1-4,6-8,10,12,17,25H,5,9,11,13-14H2/p+1/t17-/m1/s1