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

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

C1CC(C[NH+](C1)CN2C(=S)N(C(=N2)C3=CC=CS3)CC4=CC=CC=C4)O

Isomeric SMILES

C1C[C@H](C[NH+](C1)CN2C(=S)N(C(=N2)C3=CC=CS3)CC4=CC=CC=C4)O

InChI

InChI=1S/C19H22N4OS2/c24-16-8-4-10-21(13-16)14-23-19(25)22(12-15-6-2-1-3-7-15)18(20-23)17-9-5-11-26-17/h1-3,5-7,9,11,16,24H,4,8,10,12-14H2/p+1/t16-/m1/s1