4-ethyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione

Systemtic Name: 4-ethyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 4-ethyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-ethyl-2-[(4-methyl-1-piperidin-1-iumyl)methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 4-ethyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 4-ethyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C16H24N5S+ MolecularWeight: 318.46026

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+]2CCC(CC2)C)C3=CC=NC=C3

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+]2CCC(CC2)C)C3=CC=NC=C3

InChI

InChI=1S/C16H23N5S/c1-3-20-15(14-4-8-17-9-5-14)18-21(16(20)22)12-19-10-6-13(2)7-11-19/h4-5,8-9,13H,3,6-7,10-12H2,1-2H3/p+1