2-[4-(1-benzofuran-7-yl)pyridin-1-ium-1-yl]-5-fluoranyl-2,3-dihydroinden-1-one bromide

Systemtic Name: 2-[4-(1-benzofuran-7-yl)pyridin-1-ium-1-yl]-5-fluoranyl-2,3-dihydroinden-1-one bromide Openeye Name: 2-[4-(benzofuran-7-yl)pyridin-1-ium-1-yl]-5-fluoro-indan-1-one bromide CAS Name: 2-[4-(7-benzofuranyl)-1-pyridin-1-iumyl]-5-fluoro-2,3-dihydroinden-1-one bromide IUPAC Name: 2-[4-(1-benzofuran-7-yl)pyridin-1-ium-1-yl]-5-fluoro-2,3-dihydroinden-1-one bromide Traditional Name: 2-[4-(benzofuran-7-yl)pyridin-1-ium-1-yl]-5-fluoro-indan-1-one bromide Formula: C22H15BrFNO2 MolecularWeight: 424.262403

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)C2=C1C=C(C=C2)F)[N+]3=CC=C(C=C3)C4=CC=CC5=C4OC=C5.[Br-]

Isomeric SMILES

C1C(C(=O)C2=C1C=C(C=C2)F)[N+]3=CC=C(C=C3)C4=CC=CC5=C4OC=C5.[Br-]

InChI

InChI=1S/C22H15FNO2.BrH/c23-17-4-5-18-16(12-17)13-20(21(18)25)24-9-6-14(7-10-24)19-3-1-2-15-8-11-26-22(15)19;/h1-12,20H,13H2;1H/q+1;/p-1