2-[[2-(1,3-dioxolan-2-yl)pyridin-1-ium-1-yl]methyl]anthracene-9,10-dione bromide

Systemtic Name: 2-[[2-(1,3-dioxolan-2-yl)pyridin-1-ium-1-yl]methyl]anthracene-9,10-dione bromide Openeye Name: 2-[[2-(1,3-dioxolan-2-yl)pyridin-1-ium-1-yl]methyl]anthracene-9,10-dione bromide CAS Name: 2-[[2-(1,3-dioxolan-2-yl)-1-pyridin-1-iumyl]methyl]anthracene-9,10-dione bromide IUPAC Name: 2-[[2-(1,3-dioxolan-2-yl)pyridin-1-ium-1-yl]methyl]anthracene-9,10-dione bromide Traditional Name: 2-[[2-(1,3-dioxolan-2-yl)pyridin-1-ium-1-yl]methyl]-9,10-anthraquinone bromide Formula: C23H18BrNO4 MolecularWeight: 452.29732

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(O1)C2=CC=CC=[N+]2CC3=CC4=C(C=C3)C(=O)C5=CC=CC=C5C4=O.[Br-]

Isomeric SMILES

C1COC(O1)C2=CC=CC=[N+]2CC3=CC4=C(C=C3)C(=O)C5=CC=CC=C5C4=O.[Br-]

InChI

InChI=1S/C23H18NO4.BrH/c25-21-16-5-1-2-6-17(16)22(26)19-13-15(8-9-18(19)21)14-24-10-4-3-7-20(24)23-27-11-12-28-23;/h1-10,13,23H,11-12,14H2;1H/q+1;/p-1