4-(4-chlorophenyl)-5-(2-methoxyphenyl)-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 4-(4-chlorophenyl)-5-(2-methoxyphenyl)-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-(4-chlorophenyl)-5-(2-methoxyphenyl)-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 4-(4-chlorophenyl)-5-(2-methoxyphenyl)-2-(1-piperidin-1-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-(4-chlorophenyl)-5-(2-methoxyphenyl)-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 4-(4-chlorophenyl)-5-(2-methoxyphenyl)-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Formula: C21H24ClN4OS+ MolecularWeight: 415.95946

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN(C(=S)N2C3=CC=C(C=C3)Cl)C[NH+]4CCCCC4

Isomeric SMILES

COC1=CC=CC=C1C2=NN(C(=S)N2C3=CC=C(C=C3)Cl)C[NH+]4CCCCC4

InChI

InChI=1S/C21H23ClN4OS/c1-27-19-8-4-3-7-18(19)20-23-25(15-24-13-5-2-6-14-24)21(28)26(20)17-11-9-16(22)10-12-17/h3-4,7-12H,2,5-6,13-15H2,1H3/p+1