benzenesulfonate; 6-(5-methylquinolin-7-yl)-N-[5-(trifluoromethyl)pyridin-1-ium-2-yl]pyrimidin-4-amine

Systemtic Name: benzenesulfonate; 6-(5-methylquinolin-7-yl)-N-[5-(trifluoromethyl)pyridin-1-ium-2-yl]pyrimidin-4-amine Openeye Name: benzenesulfonate; 6-(5-methyl-7-quinolyl)-N-[5-(trifluoromethyl)pyridin-1-ium-2-yl]pyrimidin-4-amine CAS Name: benzenesulfonate; 6-(5-methyl-7-quinolinyl)-N-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-4-pyrimidinamine IUPAC Name: benzenesulfonate; 6-(5-methylquinolin-7-yl)-N-[5-(trifluoromethyl)pyridin-1-ium-2-yl]pyrimidin-4-amine Traditional Name: [6-(5-methyl-7-quinolyl)pyrimidin-4-yl]-[5-(trifluoromethyl)pyridin-1-ium-2-yl]amine besylate Formula: C26H20F3N5O3S MolecularWeight: 539.52891

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CC=NC2=CC(=C1)C3=CC(=NC=N3)NC4=[NH+]C=C(C=C4)C(F)(F)F.C1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC1=C2C=CC=NC2=CC(=C1)C3=CC(=NC=N3)NC4=[NH+]C=C(C=C4)C(F)(F)F.C1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C20H14F3N5.C6H6O3S/c1-12-7-13(8-17-15(12)3-2-6-24-17)16-9-19(27-11-26-16)28-18-5-4-14(10-25-18)20(21,22)23;7-10(8,9)6-4-2-1-3-5-6/h2-11H,1H3,(H,25,26,27,28);1-5H,(H,7,8,9)