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

Systemtic Name: 5-(4-fluorophenyl)-4-methyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 5-(4-fluorophenyl)-4-methyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 5-(4-fluorophenyl)-4-methyl-2-(1-piperidin-1-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-(4-fluorophenyl)-4-methyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 5-(4-fluorophenyl)-4-methyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Formula: C15H20FN4S+ MolecularWeight: 307.409503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19FN4S/c1-18-14(12-5-7-13(16)8-6-12)17-20(15(18)21)11-19-9-3-2-4-10-19/h5-8H,2-4,9-11H2,1H3/p+1