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

Systemtic Name: 2-[4-(2,3-dihydro-1-benzofuran-7-yl)pyridin-1-ium-1-yl]-5-fluoranyl-2,3-dihydroinden-1-one bromide Openeye Name: 2-[4-(2,3-dihydrobenzofuran-7-yl)pyridin-1-ium-1-yl]-5-fluoro-indan-1-one bromide CAS Name: 2-[4-(2,3-dihydrobenzofuran-7-yl)-1-pyridin-1-iumyl]-5-fluoro-2,3-dihydroinden-1-one bromide IUPAC Name: 2-[4-(2,3-dihydro-1-benzofuran-7-yl)pyridin-1-ium-1-yl]-5-fluoro-2,3-dihydroinden-1-one bromide Traditional Name: 2-(4-coumaran-7-ylpyridin-1-ium-1-yl)-5-fluoro-indan-1-one bromide Formula: C22H17BrFNO2 MolecularWeight: 426.278283

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=CC=C21)C3=CC=[N+](C=C3)C4CC5=C(C4=O)C=CC(=C5)F.[Br-]

Isomeric SMILES

C1COC2=C(C=CC=C21)C3=CC=[N+](C=C3)C4CC5=C(C4=O)C=CC(=C5)F.[Br-]

InChI

InChI=1S/C22H17FNO2.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;/h1-7,9-10,12,20H,8,11,13H2;1H/q+1;/p-1