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

Systemtic Name: 5-(4-methoxyphenyl)-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-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole-3-thione CAS Name: 2-[(4-hydroxy-1-piperidin-1-iumyl)methyl]-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole-3-thione IUPAC Name: 2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole-3-thione Traditional Name: 2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole-3-thione Formula: C21H25N4O2S+ MolecularWeight: 397.5138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(=S)N2C3=CC=CC=C3)C[NH+]4CCC(CC4)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(=S)N2C3=CC=CC=C3)C[NH+]4CCC(CC4)O

InChI

InChI=1S/C21H24N4O2S/c1-27-19-9-7-16(8-10-19)20-22-24(15-23-13-11-18(26)12-14-23)21(28)25(20)17-5-3-2-4-6-17/h2-10,18,26H,11-15H2,1H3/p+1