6-[bis[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propyl]-methyl-azaniumyl]hexyl-bis[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propyl]-methyl-azanium dibromide

Systemtic Name: 6-[bis[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propyl]-methyl-azaniumyl]hexyl-bis[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propyl]-methyl-azanium dibromide Openeye Name: 6-[bis[3-(1,3-dioxoisoindolin-2-yl)propyl]-methyl-ammonio]hexyl-bis[3-(1,3-dioxoisoindolin-2-yl)propyl]-methyl-ammonium dibromide CAS Name: 6-[bis[3-(1,3-dioxo-2-isoindolyl)propyl]-methylammonio]hexyl-bis[3-(1,3-dioxo-2-isoindolyl)propyl]-methylammonium dibromide IUPAC Name: 6-[bis[3-(1,3-dioxoisoindol-2-yl)propyl]-methylazaniumyl]hexyl-bis[3-(1,3-dioxoisoindol-2-yl)propyl]-methylazanium dibromide Traditional Name: methyl-[6-[methyl-bis(3-phthalimidopropyl)ammonio]hexyl]-bis(3-phthalimidopropyl)ammonium dibromide Formula: C52H58Br2N6O8 MolecularWeight: 1054.86032

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](CCCCCC[N+](C)(CCCN1C(=O)C2=CC=CC=C2C1=O)CCCN3C(=O)C4=CC=CC=C4C3=O)(CCCN5C(=O)C6=CC=CC=C6C5=O)CCCN7C(=O)C8=CC=CC=C8C7=O.[Br-].[Br-]

Isomeric SMILES

C[N+](CCCCCC[N+](C)(CCCN1C(=O)C2=CC=CC=C2C1=O)CCCN3C(=O)C4=CC=CC=C4C3=O)(CCCN5C(=O)C6=CC=CC=C6C5=O)CCCN7C(=O)C8=CC=CC=C8C7=O.[Br-].[Br-]

InChI

InChI=1S/C52H58N6O8.2BrH/c1-57(33-15-27-53-45(59)37-19-5-6-20-38(37)46(53)60,34-16-28-54-47(61)39-21-7-8-22-40(39)48(54)62)31-13-3-4-14-32-58(2,35-17-29-55-49(63)41-23-9-10-24-42(41)50(55)64)36-18-30-56-51(65)43-25-11-12-26-44(43)52(56)66;;/h5-12,19-26H,3-4,13-18,27-36H2,1-2H3;2*1H/q+2;;/p-2