N-heptyl-1-[5-[4-(heptylamino)pyridin-1-ium-1-yl]pentyl]pyridin-1-ium-4-amine dibromide

Systemtic Name: N-heptyl-1-[5-[4-(heptylamino)pyridin-1-ium-1-yl]pentyl]pyridin-1-ium-4-amine dibromide Openeye Name: N-heptyl-1-[5-[4-(heptylamino)pyridin-1-ium-1-yl]pentyl]pyridin-1-ium-4-amine dibromide CAS Name: N-heptyl-1-[5-[4-(heptylamino)-1-pyridin-1-iumyl]pentyl]-4-pyridin-1-iumamine dibromide IUPAC Name: N-heptyl-1-[5-[4-(heptylamino)pyridin-1-ium-1-yl]pentyl]pyridin-1-ium-4-amine dibromide Traditional Name: heptyl-[1-[5-[4-(heptylamino)pyridin-1-ium-1-yl]pentyl]pyridin-1-ium-4-yl]amine dibromide Formula: C29H50Br2N4 MolecularWeight: 614.5421

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H48N4.2BrH/c1-3-5-7-9-12-20-30-28-16-24-32(25-17-28)22-14-11-15-23-33-26-18-29(19-27-33)31-21-13-10-8-6-4-2;;/h16-19,24-27H,3-15,20-23H2,1-2H3;2*1H