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

Systemtic Name: 2-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]-5-phenyl-1H-1,2,4-triazole-3-thione Openeye Name: 2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-5-phenyl-1H-1,2,4-triazole-3-thione CAS Name: 2-[(4-hydroxy-1-piperidin-1-iumyl)methyl]-5-phenyl-1H-1,2,4-triazole-3-thione IUPAC Name: 2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-5-phenyl-1H-1,2,4-triazole-3-thione Traditional Name: 2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-5-phenyl-1H-1,2,4-triazole-3-thione Formula: C14H19N4OS+ MolecularWeight: 291.39186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N4OS/c19-12-6-8-17(9-7-12)10-18-14(20)15-13(16-18)11-4-2-1-3-5-11/h1-5,12,19H,6-10H2,(H,15,16,20)/p+1