N-dodecyl-1-[12-[4-(dodecylamino)pyridin-1-ium-1-yl]dodecyl]pyridin-1-ium-4-amine dibromide

Systemtic Name: N-dodecyl-1-[12-[4-(dodecylamino)pyridin-1-ium-1-yl]dodecyl]pyridin-1-ium-4-amine dibromide Openeye Name: N-dodecyl-1-[12-[4-(dodecylamino)pyridin-1-ium-1-yl]dodecyl]pyridin-1-ium-4-amine dibromide CAS Name: N-dodecyl-1-[12-[4-(dodecylamino)-1-pyridin-1-iumyl]dodecyl]-4-pyridin-1-iumamine dibromide IUPAC Name: N-dodecyl-1-[12-[4-(dodecylamino)pyridin-1-ium-1-yl]dodecyl]pyridin-1-ium-4-amine dibromide Traditional Name: lauryl-[1-[12-[4-(laurylamino)pyridin-1-ium-1-yl]dodecyl]pyridin-1-ium-4-yl]amine dibromide Formula: C46H84Br2N4 MolecularWeight: 852.99396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNC1=CC=[N+](C=C1)CCCCCCCCCCCC[N+]2=CC=C(C=C2)NCCCCCCCCCCCC.[Br-].[Br-]

Isomeric SMILES

CCCCCCCCCCCCNC1=CC=[N+](C=C1)CCCCCCCCCCCC[N+]2=CC=C(C=C2)NCCCCCCCCCCCC.[Br-].[Br-]

InChI

InChI=1S/C46H82N4.2BrH/c1-3-5-7-9-11-13-17-21-25-29-37-47-45-33-41-49(42-34-45)39-31-27-23-19-15-16-20-24-28-32-40-50-43-35-46(36-44-50)48-38-30-26-22-18-14-12-10-8-6-4-2;;/h33-36,41-44H,3-32,37-40H2,1-2H3;2*1H