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

Systemtic Name: 2-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]-4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 4-benzyl-2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[(4-hydroxy-1-piperidin-1-iumyl)methyl]-4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 4-benzyl-2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 4-benzyl-2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C20H24N5OS+ MolecularWeight: 382.50246

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1O)CN2C(=S)N(C(=N2)C3=CC=NC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1O)CN2C(=S)N(C(=N2)C3=CC=NC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C20H23N5OS/c26-18-8-12-23(13-9-18)15-25-20(27)24(14-16-4-2-1-3-5-16)19(22-25)17-6-10-21-11-7-17/h1-7,10-11,18,26H,8-9,12-15H2/p+1