1-[7-(4-cyanopyridin-1-ium-1-yl)heptyl]pyridin-1-ium-4-carbonitrile dibromide

Systemtic Name: 1-[7-(4-cyanopyridin-1-ium-1-yl)heptyl]pyridin-1-ium-4-carbonitrile dibromide Openeye Name: 1-[7-(4-cyanopyridin-1-ium-1-yl)heptyl]pyridin-1-ium-4-carbonitrile dibromide CAS Name: 1-[7-(4-cyano-1-pyridin-1-iumyl)heptyl]-4-pyridin-1-iumcarbonitrile dibromide IUPAC Name: 1-[7-(4-cyanopyridin-1-ium-1-yl)heptyl]pyridin-1-ium-4-carbonitrile dibromide Traditional Name: 1-[7-(4-cyanopyridin-1-ium-1-yl)heptyl]pyridin-1-ium-4-carbonitrile dibromide Formula: C19H22Br2N4 MolecularWeight: 466.21278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C[N+](=CC=C1C#N)CCCCCCC[N+]2=CC=C(C=C2)C#N.[Br-].[Br-]

Isomeric SMILES

C1=C[N+](=CC=C1C#N)CCCCCCC[N+]2=CC=C(C=C2)C#N.[Br-].[Br-]

InChI

InChI=1S/C19H22N4.2BrH/c20-16-18-6-12-22(13-7-18)10-4-2-1-3-5-11-23-14-8-19(17-21)9-15-23;;/h6-9,12-15H,1-5,10-11H2;2*1H/q+2;;/p-2