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

Systemtic Name: 4-(4-ethoxyphenyl)-2-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 4-(4-ethoxyphenyl)-2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-(4-ethoxyphenyl)-2-[(4-hydroxy-1-piperidin-1-iumyl)methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 4-(4-ethoxyphenyl)-2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-4-p-phenetyl-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C21H26N5O2S+ MolecularWeight: 412.52844

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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=NC=C4

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O2S/c1-2-28-19-5-3-17(4-6-19)26-20(16-7-11-22-12-8-16)23-25(21(26)29)15-24-13-9-18(27)10-14-24/h3-8,11-12,18,27H,2,9-10,13-15H2,1H3/p+1