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

Systemtic Name: 4-methyl-2-(piperidin-1-ium-1-ylmethyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 4-methyl-2-(piperidin-1-ium-1-ylmethyl)-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-methyl-2-(1-piperidin-1-iumylmethyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 4-methyl-2-(piperidin-1-ium-1-ylmethyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 4-methyl-2-(piperidin-1-ium-1-ylmethyl)-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C14H20N5S+ MolecularWeight: 290.4071

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N5S/c1-17-13(12-5-7-15-8-6-12)16-19(14(17)20)11-18-9-3-2-4-10-18/h5-8H,2-4,9-11H2,1H3/p+1