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

Systemtic Name: 2-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]-4-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-thione Openeye Name: 2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-4-phenyl-5-(2-thienyl)-1,2,4-triazole-3-thione CAS Name: 2-[(4-hydroxy-1-piperidin-1-iumyl)methyl]-4-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-4-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-thione Traditional Name: 2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-4-phenyl-5-(2-thienyl)-1,2,4-triazole-3-thione Formula: C18H21N4OS2+ MolecularWeight: 373.51554

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1O)CN2C(=S)N(C(=N2)C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1O)CN2C(=S)N(C(=N2)C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C18H20N4OS2/c23-15-8-10-20(11-9-15)13-21-18(24)22(14-5-2-1-3-6-14)17(19-21)16-7-4-12-25-16/h1-7,12,15,23H,8-11,13H2/p+1