N-hexyl-1-[5-[4-(hexylamino)pyridin-1-ium-1-yl]pentyl]pyridin-1-ium-4-amine dibromide

Systemtic Name: N-hexyl-1-[5-[4-(hexylamino)pyridin-1-ium-1-yl]pentyl]pyridin-1-ium-4-amine dibromide Openeye Name: N-hexyl-1-[5-[4-(hexylamino)pyridin-1-ium-1-yl]pentyl]pyridin-1-ium-4-amine dibromide CAS Name: N-hexyl-1-[5-[4-(hexylamino)-1-pyridin-1-iumyl]pentyl]-4-pyridin-1-iumamine dibromide IUPAC Name: N-hexyl-1-[5-[4-(hexylamino)pyridin-1-ium-1-yl]pentyl]pyridin-1-ium-4-amine dibromide Traditional Name: hexyl-[1-[5-[4-(hexylamino)pyridin-1-ium-1-yl]pentyl]pyridin-1-ium-4-yl]amine dibromide Formula: C27H46Br2N4 MolecularWeight: 586.48894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H44N4.2BrH/c1-3-5-7-10-18-28-26-14-22-30(23-15-26)20-12-9-13-21-31-24-16-27(17-25-31)29-19-11-8-6-4-2;;/h14-17,22-25H,3-13,18-21H2,1-2H3;2*1H