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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN(C2=S)C[NH+]3CCC(CC3)O)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN(C2=S)C[NH+]3CCC(CC3)O)C4=CC=CC=C4

InChI

InChI=1S/C22H26N4O2S/c1-2-28-20-10-8-18(9-11-20)26-21(17-6-4-3-5-7-17)23-25(22(26)29)16-24-14-12-19(27)13-15-24/h3-11,19,27H,2,12-16H2,1H3/p+1