phenyl-[1-[3-[4-(phenylcarbonyl)pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-yl]methanone dibromide

Systemtic Name: phenyl-[1-[3-[4-(phenylcarbonyl)pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-yl]methanone dibromide Openeye Name: [1-[3-(4-benzoylpyridin-1-ium-1-yl)propyl]pyridin-1-ium-4-yl]-phenyl-methanone dibromide CAS Name: [1-[3-(4-benzoyl-1-pyridin-1-iumyl)propyl]-4-pyridin-1-iumyl]-phenylmethanone dibromide IUPAC Name: [1-[3-(4-benzoylpyridin-1-ium-1-yl)propyl]pyridin-1-ium-4-yl]-phenylmethanone dibromide Traditional Name: [1-[3-(4-benzoylpyridin-1-ium-1-yl)propyl]pyridin-1-ium-4-yl]-phenyl-methanone dibromide Formula: C27H24Br2N2O2 MolecularWeight: 568.29966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H24N2O2.2BrH/c30-26(22-8-3-1-4-9-22)24-12-18-28(19-13-24)16-7-17-29-20-14-25(15-21-29)27(31)23-10-5-2-6-11-23;;/h1-6,8-15,18-21H,7,16-17H2;2*1H/q+2;;/p-2