N-(2-ethylhexyl)-1-[12-[4-(2-ethylhexylamino)pyridin-1-ium-1-yl]dodecyl]pyridin-1-ium-4-amine dibromide

Systemtic Name: N-(2-ethylhexyl)-1-[12-[4-(2-ethylhexylamino)pyridin-1-ium-1-yl]dodecyl]pyridin-1-ium-4-amine dibromide Openeye Name: N-(2-ethylhexyl)-1-[12-[4-(2-ethylhexylamino)pyridin-1-ium-1-yl]dodecyl]pyridin-1-ium-4-amine dibromide CAS Name: N-(2-ethylhexyl)-1-[12-[4-(2-ethylhexylamino)-1-pyridin-1-iumyl]dodecyl]-4-pyridin-1-iumamine dibromide IUPAC Name: N-(2-ethylhexyl)-1-[12-[4-(2-ethylhexylamino)pyridin-1-ium-1-yl]dodecyl]pyridin-1-ium-4-amine dibromide Traditional Name: 2-ethylhexyl-[1-[12-[4-(2-ethylhexylamino)pyridin-1-ium-1-yl]dodecyl]pyridin-1-ium-4-yl]amine dibromide Formula: C38H68Br2N4 MolecularWeight: 740.78132

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC1=CC=[N+](C=C1)CCCCCCCCCCCC[N+]2=CC=C(C=C2)NCC(CC)CCCC.[Br-].[Br-]

Isomeric SMILES

CCCCC(CC)CNC1=CC=[N+](C=C1)CCCCCCCCCCCC[N+]2=CC=C(C=C2)NCC(CC)CCCC.[Br-].[Br-]

InChI

InChI=1S/C38H66N4.2BrH/c1-5-9-21-35(7-3)33-39-37-23-29-41(30-24-37)27-19-17-15-13-11-12-14-16-18-20-28-42-31-25-38(26-32-42)40-34-36(8-4)22-10-6-2;;/h23-26,29-32,35-36H,5-22,27-28,33-34H2,1-4H3;2*1H