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

Systemtic Name: 4-(2-methoxyphenyl)-2-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]-5-thiophen-2-yl-1,2,4-triazole-3-thione Openeye Name: 2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-4-(2-methoxyphenyl)-5-(2-thienyl)-1,2,4-triazole-3-thione CAS Name: 2-[(4-hydroxy-1-piperidin-1-iumyl)methyl]-4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazole-3-thione Traditional Name: 2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-4-(2-methoxyphenyl)-5-(2-thienyl)-1,2,4-triazole-3-thione Formula: C19H23N4O2S2+ MolecularWeight: 403.54152

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=NN(C2=S)C[NH+]3CCC(CC3)O)C4=CC=CS4

Isomeric SMILES

COC1=CC=CC=C1N2C(=NN(C2=S)C[NH+]3CCC(CC3)O)C4=CC=CS4

InChI

InChI=1S/C19H22N4O2S2/c1-25-16-6-3-2-5-15(16)23-18(17-7-4-12-27-17)20-22(19(23)26)13-21-10-8-14(24)9-11-21/h2-7,12,14,24H,8-11,13H2,1H3/p+1