2-[4-[2-(3-methylpyridin-1-ium-1-yl)ethanoyl]phenyl]isoindole-1,3-dione bromide

Systemtic Name: 2-[4-[2-(3-methylpyridin-1-ium-1-yl)ethanoyl]phenyl]isoindole-1,3-dione bromide Openeye Name: 2-[4-[2-(3-methylpyridin-1-ium-1-yl)acetyl]phenyl]isoindoline-1,3-dione bromide CAS Name: 2-[4-[2-(3-methyl-1-pyridin-1-iumyl)-1-oxoethyl]phenyl]isoindole-1,3-dione bromide IUPAC Name: 2-[4-[2-(3-methylpyridin-1-ium-1-yl)acetyl]phenyl]isoindole-1,3-dione bromide Traditional Name: 2-[4-[2-(3-methylpyridin-1-ium-1-yl)acetyl]phenyl]isoindoline-1,3-quinone bromide Formula: C22H17BrN2O3 MolecularWeight: 437.28598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)CC(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O.[Br-]

Isomeric SMILES

CC1=C[N+](=CC=C1)CC(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O.[Br-]

InChI

InChI=1S/C22H17N2O3.BrH/c1-15-5-4-12-23(13-15)14-20(25)16-8-10-17(11-9-16)24-21(26)18-6-2-3-7-19(18)22(24)27;/h2-13H,14H2,1H3;1H/q+1;/p-1