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

Systemtic Name: 5-cyclopropyl-2-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]-4-(phenylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-benzyl-5-cyclopropyl-2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 5-cyclopropyl-2-[(4-hydroxy-1-piperidin-1-iumyl)methyl]-4-(phenylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-benzyl-5-cyclopropyl-2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 4-benzyl-5-cyclopropyl-2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C18H25N4OS+ MolecularWeight: 345.4823

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN(C(=S)N2CC3=CC=CC=C3)C[NH+]4CCC(CC4)O

Isomeric SMILES

C1CC1C2=NN(C(=S)N2CC3=CC=CC=C3)C[NH+]4CCC(CC4)O

InChI

InChI=1S/C18H24N4OS/c23-16-8-10-20(11-9-16)13-22-18(24)21(17(19-22)15-6-7-15)12-14-4-2-1-3-5-14/h1-5,15-16,23H,6-13H2/p+1