5-fluoranyl-3,3-dimethyl-1-quinolin-3-yl-4H-isoquinoline; methanesulfonate

Systemtic Name: 5-fluoranyl-3,3-dimethyl-1-quinolin-3-yl-4H-isoquinoline; methanesulfonate Openeye Name: 5-fluoro-3,3-dimethyl-1-(3-quinolyl)-4H-isoquinoline; methanesulfonate CAS Name: 5-fluoro-3,3-dimethyl-1-(3-quinolinyl)-4H-isoquinoline; methanesulfonate IUPAC Name: 5-fluoro-3,3-dimethyl-1-quinolin-3-yl-4H-isoquinoline; methanesulfonate Traditional Name: 5-fluoro-3,3-dimethyl-1-(3-quinolyl)-4H-isoquinoline mesylate Formula: C21H20FN2O3S- MolecularWeight: 399.458503

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C=CC=C2F)C(=N1)C3=CC4=CC=CC=C4N=C3)C.CS(=O)(=O)[O-]

Isomeric SMILES

CC1(CC2=C(C=CC=C2F)C(=N1)C3=CC4=CC=CC=C4N=C3)C.CS(=O)(=O)[O-]

InChI

InChI=1S/C20H17FN2.CH4O3S/c1-20(2)11-16-15(7-5-8-17(16)21)19(23-20)14-10-13-6-3-4-9-18(13)22-12-14;1-5(2,3)4/h3-10,12H,11H2,1-2H3;1H3,(H,2,3,4)/p-1