5-fluoranyl-2-[(1-prop-2-enylpyridin-1-ium-3-yl)methyl]isoindole-1,3-dione bromide

Systemtic Name: 5-fluoranyl-2-[(1-prop-2-enylpyridin-1-ium-3-yl)methyl]isoindole-1,3-dione bromide Openeye Name: 2-[(1-allylpyridin-1-ium-3-yl)methyl]-5-fluoro-isoindoline-1,3-dione bromide CAS Name: 5-fluoro-2-[(1-prop-2-enyl-3-pyridin-1-iumyl)methyl]isoindole-1,3-dione bromide IUPAC Name: 5-fluoro-2-[(1-prop-2-enylpyridin-1-ium-3-yl)methyl]isoindole-1,3-dione bromide Traditional Name: 2-[(1-allylpyridin-1-ium-3-yl)methyl]-5-fluoro-isoindoline-1,3-quinone bromide Formula: C17H14BrFN2O2 MolecularWeight: 377.207663

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[N+]1=CC=CC(=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)F.[Br-]

Isomeric SMILES

C=CC[N+]1=CC=CC(=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)F.[Br-]

InChI

InChI=1S/C17H14FN2O2.BrH/c1-2-7-19-8-3-4-12(10-19)11-20-16(21)14-6-5-13(18)9-15(14)17(20)22;/h2-6,8-10H,1,7,11H2;1H/q+1;/p-1