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

Systemtic Name: 5-[(2-methylphenoxy)methyl]-2-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]-4-phenyl-1,2,4-triazole-3-thione Openeye Name: 2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-5-[(2-methylphenoxy)methyl]-4-phenyl-1,2,4-triazole-3-thione CAS Name: 2-[(4-hydroxy-1-piperidin-1-iumyl)methyl]-5-[(2-methylphenoxy)methyl]-4-phenyl-1,2,4-triazole-3-thione IUPAC Name: 2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-5-[(2-methylphenoxy)methyl]-4-phenyl-1,2,4-triazole-3-thione Traditional Name: 2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-5-[(2-methylphenoxy)methyl]-4-phenyl-1,2,4-triazole-3-thione Formula: C22H27N4O2S+ MolecularWeight: 411.54038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC2=NN(C(=S)N2C3=CC=CC=C3)C[NH+]4CCC(CC4)O

Isomeric SMILES

CC1=CC=CC=C1OCC2=NN(C(=S)N2C3=CC=CC=C3)C[NH+]4CCC(CC4)O

InChI

InChI=1S/C22H26N4O2S/c1-17-7-5-6-10-20(17)28-15-21-23-25(16-24-13-11-19(27)12-14-24)22(29)26(21)18-8-3-2-4-9-18/h2-10,19,27H,11-16H2,1H3/p+1