2-(pyridin-1-ium-1-ylmethyl)anthracene-9,10-dione bromide

Systemtic Name: 2-(pyridin-1-ium-1-ylmethyl)anthracene-9,10-dione bromide Openeye Name: 2-(pyridin-1-ium-1-ylmethyl)anthracene-9,10-dione bromide CAS Name: 2-(1-pyridin-1-iumylmethyl)anthracene-9,10-dione bromide IUPAC Name: 2-(pyridin-1-ium-1-ylmethyl)anthracene-9,10-dione bromide Traditional Name: 2-(pyridin-1-ium-1-ylmethyl)-9,10-anthraquinone bromide Formula: C20H14BrNO2 MolecularWeight: 380.23466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O.[Br-]

Isomeric SMILES

C1=CC=[N+](C=C1)CC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O.[Br-]

InChI

InChI=1S/C20H14NO2.BrH/c22-19-15-6-2-3-7-16(15)20(23)18-12-14(8-9-17(18)19)13-21-10-4-1-5-11-21;/h1-12H,13H2;1H/q+1;/p-1