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

Systemtic Name: 5-(4-methoxyphenyl)-4-methyl-2-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole-3-thione CAS Name: 2-[(4-hydroxy-1-piperidin-1-iumyl)methyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole-3-thione IUPAC Name: 2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole-3-thione Traditional Name: 2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole-3-thione Formula: C16H23N4O2S+ MolecularWeight: 335.44442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O2S/c1-18-15(12-3-5-14(22-2)6-4-12)17-20(16(18)23)11-19-9-7-13(21)8-10-19/h3-6,13,21H,7-11H2,1-2H3/p+1