N-hexyl-1-[6-[4-(hexylamino)pyridin-1-ium-1-yl]hexyl]pyridin-1-ium-4-amine dibromide

Systemtic Name: N-hexyl-1-[6-[4-(hexylamino)pyridin-1-ium-1-yl]hexyl]pyridin-1-ium-4-amine dibromide Openeye Name: N-hexyl-1-[6-[4-(hexylamino)pyridin-1-ium-1-yl]hexyl]pyridin-1-ium-4-amine dibromide CAS Name: N-hexyl-1-[6-[4-(hexylamino)-1-pyridin-1-iumyl]hexyl]-4-pyridin-1-iumamine dibromide IUPAC Name: N-hexyl-1-[6-[4-(hexylamino)pyridin-1-ium-1-yl]hexyl]pyridin-1-ium-4-amine dibromide Traditional Name: hexyl-[1-[6-[4-(hexylamino)pyridin-1-ium-1-yl]hexyl]pyridin-1-ium-4-yl]amine dibromide Formula: C28H48Br2N4 MolecularWeight: 600.51552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=CC=[N+](C=C1)CCCCCC[N+]2=CC=C(C=C2)NCCCCCC.[Br-].[Br-]

Isomeric SMILES

CCCCCCNC1=CC=[N+](C=C1)CCCCCC[N+]2=CC=C(C=C2)NCCCCCC.[Br-].[Br-]

InChI

InChI=1S/C28H46N4.2BrH/c1-3-5-7-11-19-29-27-15-23-31(24-16-27)21-13-9-10-14-22-32-25-17-28(18-26-32)30-20-12-8-6-4-2;;/h15-18,23-26H,3-14,19-22H2,1-2H3;2*1H