1-methyl-3-[[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]imidazole-2-thione

Systemtic Name: 1-methyl-3-[[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]imidazole-2-thione Openeye Name: 1-methyl-3-[[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]imidazole-2-thione CAS Name: 1-methyl-3-[[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazin-1-iumyl]methyl]-2-imidazolethione IUPAC Name: 1-methyl-3-[[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]imidazole-2-thione Traditional Name: 1-methyl-3-[[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]-4-imidazoline-2-thione Formula: C15H20F3N5S+2 MolecularWeight: 359.41301

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18F3N5S/c1-20-4-7-23(14(20)24)11-21-5-8-22(9-6-21)13-3-2-12(10-19-13)15(16,17)18/h2-4,7,10H,5-6,8-9,11H2,1H3/p+2