N-hexyl-1-[7-[4-(hexylamino)pyridin-1-ium-1-yl]heptyl]pyridin-1-ium-4-amine dibromide

Systemtic Name: N-hexyl-1-[7-[4-(hexylamino)pyridin-1-ium-1-yl]heptyl]pyridin-1-ium-4-amine dibromide Openeye Name: N-hexyl-1-[7-[4-(hexylamino)pyridin-1-ium-1-yl]heptyl]pyridin-1-ium-4-amine dibromide CAS Name: N-hexyl-1-[7-[4-(hexylamino)-1-pyridin-1-iumyl]heptyl]-4-pyridin-1-iumamine dibromide IUPAC Name: N-hexyl-1-[7-[4-(hexylamino)pyridin-1-ium-1-yl]heptyl]pyridin-1-ium-4-amine dibromide Traditional Name: hexyl-[1-[7-[4-(hexylamino)pyridin-1-ium-1-yl]heptyl]pyridin-1-ium-4-yl]amine dibromide Formula: C29H50Br2N4 MolecularWeight: 614.5421

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H48N4.2BrH/c1-3-5-7-12-20-30-28-16-24-32(25-17-28)22-14-10-9-11-15-23-33-26-18-29(19-27-33)31-21-13-8-6-4-2;;/h16-19,24-27H,3-15,20-23H2,1-2H3;2*1H