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

Systemtic Name: N-heptyl-1-[12-[4-(heptylamino)pyridin-1-ium-1-yl]dodecyl]pyridin-1-ium-4-amine dibromide Openeye Name: N-heptyl-1-[12-[4-(heptylamino)pyridin-1-ium-1-yl]dodecyl]pyridin-1-ium-4-amine dibromide CAS Name: N-heptyl-1-[12-[4-(heptylamino)-1-pyridin-1-iumyl]dodecyl]-4-pyridin-1-iumamine dibromide IUPAC Name: N-heptyl-1-[12-[4-(heptylamino)pyridin-1-ium-1-yl]dodecyl]pyridin-1-ium-4-amine dibromide Traditional Name: heptyl-[1-[12-[4-(heptylamino)pyridin-1-ium-1-yl]dodecyl]pyridin-1-ium-4-yl]amine dibromide Formula: C36H64Br2N4 MolecularWeight: 712.72816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC1=CC=[N+](C=C1)CCCCCCCCCCCC[N+]2=CC=C(C=C2)NCCCCCCC.[Br-].[Br-]

Isomeric SMILES

CCCCCCCNC1=CC=[N+](C=C1)CCCCCCCCCCCC[N+]2=CC=C(C=C2)NCCCCCCC.[Br-].[Br-]

InChI

InChI=1S/C36H62N4.2BrH/c1-3-5-7-15-19-27-37-35-23-31-39(32-24-35)29-21-17-13-11-9-10-12-14-18-22-30-40-33-25-36(26-34-40)38-28-20-16-8-6-4-2;;/h23-26,31-34H,3-22,27-30H2,1-2H3;2*1H