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

Systemtic Name: phenyl-[1-[4-[4-(phenylcarbonyl)pyridin-1-ium-1-yl]butyl]pyridin-1-ium-4-yl]methanone dibromide Openeye Name: [1-[4-(4-benzoylpyridin-1-ium-1-yl)butyl]pyridin-1-ium-4-yl]-phenyl-methanone dibromide CAS Name: [1-[4-(4-benzoyl-1-pyridin-1-iumyl)butyl]-4-pyridin-1-iumyl]-phenylmethanone dibromide IUPAC Name: [1-[4-(4-benzoylpyridin-1-ium-1-yl)butyl]pyridin-1-ium-4-yl]-phenylmethanone dibromide Traditional Name: [1-[4-(4-benzoylpyridin-1-ium-1-yl)butyl]pyridin-1-ium-4-yl]-phenyl-methanone dibromide Formula: C28H26Br2N2O2 MolecularWeight: 582.32624

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H26N2O2.2BrH/c31-27(23-9-3-1-4-10-23)25-13-19-29(20-14-25)17-7-8-18-30-21-15-26(16-22-30)28(32)24-11-5-2-6-12-24;;/h1-6,9-16,19-22H,7-8,17-18H2;2*1H/q+2;;/p-2