N-(2-ethylhexyl)-1-[5-[4-(2-ethylhexylamino)pyridin-1-ium-1-yl]pentyl]pyridin-1-ium-4-amine dibromide

Systemtic Name: N-(2-ethylhexyl)-1-[5-[4-(2-ethylhexylamino)pyridin-1-ium-1-yl]pentyl]pyridin-1-ium-4-amine dibromide Openeye Name: N-(2-ethylhexyl)-1-[5-[4-(2-ethylhexylamino)pyridin-1-ium-1-yl]pentyl]pyridin-1-ium-4-amine dibromide CAS Name: N-(2-ethylhexyl)-1-[5-[4-(2-ethylhexylamino)-1-pyridin-1-iumyl]pentyl]-4-pyridin-1-iumamine dibromide IUPAC Name: N-(2-ethylhexyl)-1-[5-[4-(2-ethylhexylamino)pyridin-1-ium-1-yl]pentyl]pyridin-1-ium-4-amine dibromide Traditional Name: 2-ethylhexyl-[1-[5-[4-(2-ethylhexylamino)pyridin-1-ium-1-yl]pentyl]pyridin-1-ium-4-yl]amine dibromide Formula: C31H54Br2N4 MolecularWeight: 642.59526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H52N4.2BrH/c1-5-9-14-28(7-3)26-32-30-16-22-34(23-17-30)20-12-11-13-21-35-24-18-31(19-25-35)33-27-29(8-4)15-10-6-2;;/h16-19,22-25,28-29H,5-15,20-21,26-27H2,1-4H3;2*1H