benzenesulfonate; 6-(6-fluoranylquinolin-7-yl)-5-methyl-N-[5-(trifluoromethyl)pyridin-2-yl]pyrimidin-3-ium-4-amine

Systemtic Name: benzenesulfonate; 6-(6-fluoranylquinolin-7-yl)-5-methyl-N-[5-(trifluoromethyl)pyridin-2-yl]pyrimidin-3-ium-4-amine Openeye Name: benzenesulfonate; 6-(6-fluoro-7-quinolyl)-5-methyl-N-[5-(trifluoromethyl)-2-pyridyl]pyrimidin-3-ium-4-amine CAS Name: benzenesulfonate; 6-(6-fluoro-7-quinolinyl)-5-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]-4-pyrimidin-3-iumamine IUPAC Name: benzenesulfonate; 6-(6-fluoroquinolin-7-yl)-5-methyl-N-[5-(trifluoromethyl)pyridin-2-yl]pyrimidin-3-ium-4-amine Traditional Name: [6-(6-fluoro-7-quinolyl)-5-methyl-pyrimidin-3-ium-4-yl]-[5-(trifluoromethyl)-2-pyridyl]amine besylate Formula: C26H19F4N5O3S MolecularWeight: 557.519373

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C[NH+]=C1NC2=NC=C(C=C2)C(F)(F)F)C3=C(C=C4C=CC=NC4=C3)F.C1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC1=C(N=C[NH+]=C1NC2=NC=C(C=C2)C(F)(F)F)C3=C(C=C4C=CC=NC4=C3)F.C1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C20H13F4N5.C6H6O3S/c1-11-18(14-8-16-12(7-15(14)21)3-2-6-25-16)27-10-28-19(11)29-17-5-4-13(9-26-17)20(22,23)24;7-10(8,9)6-4-2-1-3-5-6/h2-10H,1H3,(H,26,27,28,29);1-5H,(H,7,8,9)