1-(2-fluoranyl-4-methoxy-phenyl)-2-isoquinolin-2-ium-2-yl-ethanone bromide

Systemtic Name: 1-(2-fluoranyl-4-methoxy-phenyl)-2-isoquinolin-2-ium-2-yl-ethanone bromide Openeye Name: 1-(2-fluoro-4-methoxy-phenyl)-2-isoquinolin-2-ium-2-yl-ethanone bromide CAS Name: 1-(2-fluoro-4-methoxyphenyl)-2-(2-isoquinolin-2-iumyl)ethanone bromide IUPAC Name: 1-(2-fluoro-4-methoxyphenyl)-2-isoquinolin-2-ium-2-ylethanone bromide Traditional Name: 1-(2-fluoro-4-methoxy-phenyl)-2-isoquinolin-2-ium-2-yl-ethanone bromide Formula: C18H15BrFNO2 MolecularWeight: 376.219603

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)C[N+]2=CC3=CC=CC=C3C=C2)F.[Br-]

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)C[N+]2=CC3=CC=CC=C3C=C2)F.[Br-]

InChI

InChI=1S/C18H15FNO2.BrH/c1-22-15-6-7-16(17(19)10-15)18(21)12-20-9-8-13-4-2-3-5-14(13)11-20;/h2-11H,12H2,1H3;1H/q+1;/p-1