N-hexyl-1-[9-[4-(hexylamino)pyridin-1-ium-1-yl]nonyl]pyridin-1-ium-4-amine dibromide

Systemtic Name: N-hexyl-1-[9-[4-(hexylamino)pyridin-1-ium-1-yl]nonyl]pyridin-1-ium-4-amine dibromide Openeye Name: N-hexyl-1-[9-[4-(hexylamino)pyridin-1-ium-1-yl]nonyl]pyridin-1-ium-4-amine dibromide CAS Name: N-hexyl-1-[9-[4-(hexylamino)-1-pyridin-1-iumyl]nonyl]-4-pyridin-1-iumamine dibromide IUPAC Name: N-hexyl-1-[9-[4-(hexylamino)pyridin-1-ium-1-yl]nonyl]pyridin-1-ium-4-amine dibromide Traditional Name: hexyl-[1-[9-[4-(hexylamino)pyridin-1-ium-1-yl]nonyl]pyridin-1-ium-4-yl]amine dibromide Formula: C31H54Br2N4 MolecularWeight: 642.59526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H52N4.2BrH/c1-3-5-7-14-22-32-30-18-26-34(27-19-30)24-16-12-10-9-11-13-17-25-35-28-20-31(21-29-35)33-23-15-8-6-4-2;;/h18-21,26-29H,3-17,22-25H2,1-2H3;2*1H