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

Systemtic Name: 5-(5-chloranyl-2-methoxy-phenyl)-2-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]-1H-1,2,4-triazole-3-thione Openeye Name: 5-(5-chloro-2-methoxy-phenyl)-2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-1H-1,2,4-triazole-3-thione CAS Name: 5-(5-chloro-2-methoxyphenyl)-2-[(4-hydroxy-1-piperidin-1-iumyl)methyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 5-(5-chloro-2-methoxyphenyl)-2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-1H-1,2,4-triazole-3-thione Traditional Name: 5-(5-chloro-2-methoxy-phenyl)-2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-1H-1,2,4-triazole-3-thione Formula: C15H20ClN4O2S+ MolecularWeight: 355.8629

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C2=NC(=S)N(N2)C[NH+]3CCC(CC3)O

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C2=NC(=S)N(N2)C[NH+]3CCC(CC3)O

InChI

InChI=1S/C15H19ClN4O2S/c1-22-13-3-2-10(16)8-12(13)14-17-15(23)20(18-14)9-19-6-4-11(21)5-7-19/h2-3,8,11,21H,4-7,9H2,1H3,(H,17,18,23)/p+1