N-octyl-1-[7-[4-(octylamino)pyridin-1-ium-1-yl]heptyl]pyridin-1-ium-4-amine dibromide

Systemtic Name: N-octyl-1-[7-[4-(octylamino)pyridin-1-ium-1-yl]heptyl]pyridin-1-ium-4-amine dibromide Openeye Name: N-octyl-1-[7-[4-(octylamino)pyridin-1-ium-1-yl]heptyl]pyridin-1-ium-4-amine dibromide CAS Name: N-octyl-1-[7-[4-(octylamino)-1-pyridin-1-iumyl]heptyl]-4-pyridin-1-iumamine dibromide IUPAC Name: N-octyl-1-[7-[4-(octylamino)pyridin-1-ium-1-yl]heptyl]pyridin-1-ium-4-amine dibromide Traditional Name: octyl-[1-[7-[4-(octylamino)pyridin-1-ium-1-yl]heptyl]pyridin-1-ium-4-yl]amine dibromide Formula: C33H58Br2N4 MolecularWeight: 670.64842

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC1=CC=[N+](C=C1)CCCCCCC[N+]2=CC=C(C=C2)NCCCCCCCC.[Br-].[Br-]

Isomeric SMILES

CCCCCCCCNC1=CC=[N+](C=C1)CCCCCCC[N+]2=CC=C(C=C2)NCCCCCCCC.[Br-].[Br-]

InChI

InChI=1S/C33H56N4.2BrH/c1-3-5-7-9-12-16-24-34-32-20-28-36(29-21-32)26-18-14-11-15-19-27-37-30-22-33(23-31-37)35-25-17-13-10-8-6-4-2;;/h20-23,28-31H,3-19,24-27H2,1-2H3;2*1H