(4-bromanyl-2-fluoranyl-phenyl)-(3-cyano-6,7-dimethoxy-quinolin-4-yl)azanium chloride

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl)-(3-cyano-6,7-dimethoxy-quinolin-4-yl)azanium chloride Openeye Name: (4-bromo-2-fluoro-phenyl)-(3-cyano-6,7-dimethoxy-4-quinolyl)ammonium chloride CAS Name: (4-bromo-2-fluorophenyl)-(3-cyano-6,7-dimethoxy-4-quinolinyl)ammonium chloride IUPAC Name: (4-bromo-2-fluorophenyl)-(3-cyano-6,7-dimethoxyquinolin-4-yl)azanium chloride Traditional Name: (4-bromo-2-fluoro-phenyl)-(3-cyano-6,7-dimethoxy-4-quinolyl)ammonium chloride Formula: C18H14BrClFN3O2 MolecularWeight: 438.678063

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)[NH2+]C3=C(C=C(C=C3)Br)F)OC.[Cl-]

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)[NH2+]C3=C(C=C(C=C3)Br)F)OC.[Cl-]

InChI

InChI=1S/C18H13BrFN3O2.ClH/c1-24-16-6-12-15(7-17(16)25-2)22-9-10(8-21)18(12)23-14-4-3-11(19)5-13(14)20;/h3-7,9H,1-2H3,(H,22,23);1H