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

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

C1C[NH+](CCC1O)CN2C(=S)N(C(=N2)C3=CN=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1O)CN2C(=S)N(C(=N2)C3=CN=CC=C3)C4=CC=CC=C4

InChI

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