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

Systemtic Name: benzenesulfonate; 5-propan-2-yl-6-quinolin-7-yl-N-[5-(trifluoromethyl)pyridin-2-yl]pyrimidin-3-ium-4-amine Openeye Name: benzenesulfonate; 5-isopropyl-6-(7-quinolyl)-N-[5-(trifluoromethyl)-2-pyridyl]pyrimidin-3-ium-4-amine CAS Name: benzenesulfonate; 5-propan-2-yl-6-(7-quinolinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-4-pyrimidin-3-iumamine IUPAC Name: benzenesulfonate; 5-propan-2-yl-6-quinolin-7-yl-N-[5-(trifluoromethyl)pyridin-2-yl]pyrimidin-3-ium-4-amine Traditional Name: [5-isopropyl-6-(7-quinolyl)pyrimidin-3-ium-4-yl]-[5-(trifluoromethyl)-2-pyridyl]amine besylate Formula: C28H24F3N5O3S MolecularWeight: 567.58207

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(N=C[NH+]=C1NC2=NC=C(C=C2)C(F)(F)F)C3=CC4=C(C=CC=N4)C=C3.C1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC(C)C1=C(N=C[NH+]=C1NC2=NC=C(C=C2)C(F)(F)F)C3=CC4=C(C=CC=N4)C=C3.C1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C22H18F3N5.C6H6O3S/c1-13(2)19-20(15-6-5-14-4-3-9-26-17(14)10-15)28-12-29-21(19)30-18-8-7-16(11-27-18)22(23,24)25;7-10(8,9)6-4-2-1-3-5-6/h3-13H,1-2H3,(H,27,28,29,30);1-5H,(H,7,8,9)