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

Systemtic Name: 2-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]-4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazole-3-thione Openeye Name: 4-benzyl-2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-5-(2-thienyl)-1,2,4-triazole-3-thione CAS Name: 2-[(4-hydroxy-1-piperidin-1-iumyl)methyl]-4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazole-3-thione IUPAC Name: 4-benzyl-2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-5-thiophen-2-yl-1,2,4-triazole-3-thione Traditional Name: 4-benzyl-2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-5-(2-thienyl)-1,2,4-triazole-3-thione Formula: C19H23N4OS2+ MolecularWeight: 387.54212

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1O)CN2C(=S)N(C(=N2)C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1O)CN2C(=S)N(C(=N2)C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C19H22N4OS2/c24-16-8-10-21(11-9-16)14-23-19(25)22(13-15-5-2-1-3-6-15)18(20-23)17-7-4-12-26-17/h1-7,12,16,24H,8-11,13-14H2/p+1