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

Systemtic Name: 5-(2-chlorophenyl)-4-methyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 5-(2-chlorophenyl)-4-methyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 5-(2-chlorophenyl)-4-methyl-2-(1-piperidin-1-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-(2-chlorophenyl)-4-methyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 5-(2-chlorophenyl)-4-methyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Formula: C15H20ClN4S+ MolecularWeight: 323.8641

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCCCC2)C3=CC=CC=C3Cl

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCCCC2)C3=CC=CC=C3Cl

InChI

InChI=1S/C15H19ClN4S/c1-18-14(12-7-3-4-8-13(12)16)17-20(15(18)21)11-19-9-5-2-6-10-19/h3-4,7-8H,2,5-6,9-11H2,1H3/p+1