2-[[4-[3-[1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]pyridin-1-ium-4-yl]propyl]pyridin-1-ium-1-yl]methyl]isoindole-1,3-dione dibromide

Systemtic Name: 2-[[4-[3-[1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]pyridin-1-ium-4-yl]propyl]pyridin-1-ium-1-yl]methyl]isoindole-1,3-dione dibromide Openeye Name: 2-[[4-[3-[1-[(1,3-dioxoisoindolin-2-yl)methyl]pyridin-1-ium-4-yl]propyl]pyridin-1-ium-1-yl]methyl]isoindoline-1,3-dione dibromide CAS Name: 2-[[4-[3-[1-[(1,3-dioxo-2-isoindolyl)methyl]-4-pyridin-1-iumyl]propyl]-1-pyridin-1-iumyl]methyl]isoindole-1,3-dione dibromide IUPAC Name: 2-[[4-[3-[1-[(1,3-dioxoisoindol-2-yl)methyl]pyridin-1-ium-4-yl]propyl]pyridin-1-ium-1-yl]methyl]isoindole-1,3-dione dibromide Traditional Name: 2-[[4-[3-[1-(phthalimidomethyl)pyridin-1-ium-4-yl]propyl]pyridin-1-ium-1-yl]methyl]isoindoline-1,3-quinone dibromide Formula: C31H26Br2N4O4 MolecularWeight: 678.37054

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)C[N+]3=CC=C(C=C3)CCCC4=CC=[N+](C=C4)CN5C(=O)C6=CC=CC=C6C5=O.[Br-].[Br-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)C[N+]3=CC=C(C=C3)CCCC4=CC=[N+](C=C4)CN5C(=O)C6=CC=CC=C6C5=O.[Br-].[Br-]

InChI

InChI=1S/C31H26N4O4.2BrH/c36-28-24-8-1-2-9-25(24)29(37)34(28)20-32-16-12-22(13-17-32)6-5-7-23-14-18-33(19-15-23)21-35-30(38)26-10-3-4-11-27(26)31(35)39;;/h1-4,8-19H,5-7,20-21H2;2*1H/q+2;;/p-2