phenyl-[1-[6-[4-(phenylcarbonyl)pyridin-1-ium-1-yl]hexyl]pyridin-1-ium-4-yl]methanone dibromide

Systemtic Name: phenyl-[1-[6-[4-(phenylcarbonyl)pyridin-1-ium-1-yl]hexyl]pyridin-1-ium-4-yl]methanone dibromide Openeye Name: [1-[6-(4-benzoylpyridin-1-ium-1-yl)hexyl]pyridin-1-ium-4-yl]-phenyl-methanone dibromide CAS Name: [1-[6-(4-benzoyl-1-pyridin-1-iumyl)hexyl]-4-pyridin-1-iumyl]-phenylmethanone dibromide IUPAC Name: [1-[6-(4-benzoylpyridin-1-ium-1-yl)hexyl]pyridin-1-ium-4-yl]-phenylmethanone dibromide Traditional Name: [1-[6-(4-benzoylpyridin-1-ium-1-yl)hexyl]pyridin-1-ium-4-yl]-phenyl-methanone dibromide Formula: C30H30Br2N2O2 MolecularWeight: 610.3794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC=[N+](C=C2)CCCCCC[N+]3=CC=C(C=C3)C(=O)C4=CC=CC=C4.[Br-].[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC=[N+](C=C2)CCCCCC[N+]3=CC=C(C=C3)C(=O)C4=CC=CC=C4.[Br-].[Br-]

InChI

InChI=1S/C30H30N2O2.2BrH/c33-29(25-11-5-3-6-12-25)27-15-21-31(22-16-27)19-9-1-2-10-20-32-23-17-28(18-24-32)30(34)26-13-7-4-8-14-26;;/h3-8,11-18,21-24H,1-2,9-10,19-20H2;2*1H/q+2;;/p-2