5-(5-chloranyl-2-methoxy-phenyl)-2-(piperidin-1-ium-1-ylmethyl)-1H-1,2,4-triazole-3-thione

Systemtic Name: 5-(5-chloranyl-2-methoxy-phenyl)-2-(piperidin-1-ium-1-ylmethyl)-1H-1,2,4-triazole-3-thione Openeye Name: 5-(5-chloro-2-methoxy-phenyl)-2-(piperidin-1-ium-1-ylmethyl)-1H-1,2,4-triazole-3-thione CAS Name: 5-(5-chloro-2-methoxyphenyl)-2-(1-piperidin-1-iumylmethyl)-1H-1,2,4-triazole-3-thione IUPAC Name: 5-(5-chloro-2-methoxyphenyl)-2-(piperidin-1-ium-1-ylmethyl)-1H-1,2,4-triazole-3-thione Traditional Name: 5-(5-chloro-2-methoxy-phenyl)-2-(piperidin-1-ium-1-ylmethyl)-1H-1,2,4-triazole-3-thione Formula: C15H20ClN4OS+ MolecularWeight: 339.8635

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C2=NC(=S)N(N2)C[NH+]3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C2=NC(=S)N(N2)C[NH+]3CCCCC3

InChI

InChI=1S/C15H19ClN4OS/c1-21-13-6-5-11(16)9-12(13)14-17-15(22)20(18-14)10-19-7-3-2-4-8-19/h5-6,9H,2-4,7-8,10H2,1H3,(H,17,18,22)/p+1