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

Systemtic Name: 4-methyl-2-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-5-(trifluoromethyl)-1,2,4-triazole-3-thione Openeye Name: 4-methyl-2-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-5-(trifluoromethyl)-1,2,4-triazole-3-thione CAS Name: 4-methyl-2-[[4-(4-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-5-(trifluoromethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-methyl-2-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-5-(trifluoromethyl)-1,2,4-triazole-3-thione Traditional Name: 4-methyl-2-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-5-(trifluoromethyl)-1,2,4-triazole-3-thione Formula: C14H19F3N6S+2 MolecularWeight: 360.40107

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=CC=[NH+]C=C3)C(F)(F)F

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=CC=[NH+]C=C3)C(F)(F)F

InChI

InChI=1S/C14H17F3N6S/c1-20-12(14(15,16)17)19-23(13(20)24)10-21-6-8-22(9-7-21)11-2-4-18-5-3-11/h2-5H,6-10H2,1H3/p+2