4-[6-fluoranyl-3-(4-fluorophenyl)-1-benzofuran-2-yl]-1-(phenylmethyl)pyridin-1-ium bromide

Systemtic Name: 4-[6-fluoranyl-3-(4-fluorophenyl)-1-benzofuran-2-yl]-1-(phenylmethyl)pyridin-1-ium bromide Openeye Name: 1-benzyl-4-[6-fluoro-3-(4-fluorophenyl)benzofuran-2-yl]pyridin-1-ium bromide CAS Name: 4-[6-fluoro-3-(4-fluorophenyl)-2-benzofuranyl]-1-(phenylmethyl)pyridin-1-ium bromide IUPAC Name: 1-benzyl-4-[6-fluoro-3-(4-fluorophenyl)-1-benzofuran-2-yl]pyridin-1-ium bromide Traditional Name: 1-benzyl-4-[6-fluoro-3-(4-fluorophenyl)benzofuran-2-yl]pyridin-1-ium bromide Formula: C26H18BrF2NO MolecularWeight: 478.328026

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=CC=C(C=C2)C3=C(C4=C(O3)C=C(C=C4)F)C5=CC=C(C=C5)F.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=CC=C(C=C2)C3=C(C4=C(O3)C=C(C=C4)F)C5=CC=C(C=C5)F.[Br-]

InChI

InChI=1S/C26H18F2NO.BrH/c27-21-8-6-19(7-9-21)25-23-11-10-22(28)16-24(23)30-26(25)20-12-14-29(15-13-20)17-18-4-2-1-3-5-18;/h1-16H,17H2;1H/q+1;/p-1