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

Systemtic Name: 4-ethyl-5-(4-methoxyphenyl)-2-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 4-ethyl-2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-5-(4-methoxyphenyl)-1,2,4-triazole-3-thione CAS Name: 4-ethyl-2-[(4-hydroxy-1-piperidin-1-iumyl)methyl]-5-(4-methoxyphenyl)-1,2,4-triazole-3-thione IUPAC Name: 4-ethyl-2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-5-(4-methoxyphenyl)-1,2,4-triazole-3-thione Traditional Name: 4-ethyl-2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-5-(4-methoxyphenyl)-1,2,4-triazole-3-thione Formula: C17H25N4O2S+ MolecularWeight: 349.471

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+]2CCC(CC2)O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+]2CCC(CC2)O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C17H24N4O2S/c1-3-20-16(13-4-6-15(23-2)7-5-13)18-21(17(20)24)12-19-10-8-14(22)9-11-19/h4-7,14,22H,3,8-12H2,1-2H3/p+1