2-(1-phenacylpyridin-1-ium-4-yl)indene-1,3-dione bromide

Systemtic Name: 2-(1-phenacylpyridin-1-ium-4-yl)indene-1,3-dione bromide Openeye Name: 2-(1-phenacylpyridin-1-ium-4-yl)indane-1,3-dione bromide CAS Name: 2-(1-phenacyl-4-pyridin-1-iumyl)indene-1,3-dione bromide IUPAC Name: 2-(1-phenacylpyridin-1-ium-4-yl)indene-1,3-dione bromide Traditional Name: 2-(1-phenacylpyridin-1-ium-4-yl)indane-1,3-quinone bromide Formula: C22H16BrNO3 MolecularWeight: 422.27134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C[N+]2=CC=C(C=C2)C3C(=O)C4=CC=CC=C4C3=O.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C[N+]2=CC=C(C=C2)C3C(=O)C4=CC=CC=C4C3=O.[Br-]

InChI

InChI=1S/C22H16NO3.BrH/c24-19(15-6-2-1-3-7-15)14-23-12-10-16(11-13-23)20-21(25)17-8-4-5-9-18(17)22(20)26;/h1-13,20H,14H2;1H/q+1;/p-1