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

Systemtic Name: 4-methyl-2-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]-5-(phenylmethyl)-1,2,4-triazole-3-thione Openeye Name: 5-benzyl-2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-4-methyl-1,2,4-triazole-3-thione CAS Name: 2-[(4-hydroxy-1-piperidin-1-iumyl)methyl]-4-methyl-5-(phenylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-benzyl-2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-4-methyl-1,2,4-triazole-3-thione Traditional Name: 5-benzyl-2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-4-methyl-1,2,4-triazole-3-thione Formula: C16H23N4OS+ MolecularWeight: 319.44502

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCC(CC2)O)CC3=CC=CC=C3

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCC(CC2)O)CC3=CC=CC=C3

InChI

InChI=1S/C16H22N4OS/c1-18-15(11-13-5-3-2-4-6-13)17-20(16(18)22)12-19-9-7-14(21)8-10-19/h2-6,14,21H,7-12H2,1H3/p+1