2-[1-[6-[4-[2-(dioctylamino)-2-oxidanylidene-ethyl]-1,4-diazoniabicyclo[2.2.2]octan-1-yl]hexyl]-1,4-diazoniabicyclo[2.2.2]octan-4-yl]-N,N-dioctyl-ethanamide tetrabromide

Systemtic Name: 2-[1-[6-[4-[2-(dioctylamino)-2-oxidanylidene-ethyl]-1,4-diazoniabicyclo[2.2.2]octan-1-yl]hexyl]-1,4-diazoniabicyclo[2.2.2]octan-4-yl]-N,N-dioctyl-ethanamide tetrabromide Openeye Name: 2-[1-[6-[4-[2-(dioctylamino)-2-oxo-ethyl]-1,4-diazoniabicyclo[2.2.2]octan-1-yl]hexyl]-1,4-diazoniabicyclo[2.2.2]octan-4-yl]-N,N-dioctyl-acetamide tetrabromide CAS Name: 2-[1-[6-[4-[2-(dioctylamino)-2-oxoethyl]-1,4-diazoniabicyclo[2.2.2]octan-1-yl]hexyl]-1,4-diazoniabicyclo[2.2.2]octan-4-yl]-N,N-dioctylacetamide tetrabromide IUPAC Name: 2-[1-[6-[4-[2-(dioctylamino)-2-oxoethyl]-1,4-diazoniabicyclo[2.2.2]octan-1-yl]hexyl]-1,4-diazoniabicyclo[2.2.2]octan-4-yl]-N,N-dioctylacetamide tetrabromide Traditional Name: 2-[1-[6-[4-[2-(dioctylamino)-2-keto-ethyl]-1,4-diazoniabicyclo[2.2.2]octan-1-yl]hexyl]-1,4-diazoniabicyclo[2.2.2]octan-4-yl]-N,N-dioctyl-acetamide tetrabromide Formula: C54H108Br4N6O2 MolecularWeight: 1193.09032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(CCCCCCCC)C(=O)C[N+]12CC[N+](CC1)(CC2)CCCCCC[N+]34CC[N+](CC3)(CC4)CC(=O)N(CCCCCCCC)CCCCCCCC.[Br-].[Br-].[Br-].[Br-]

Isomeric SMILES

CCCCCCCCN(CCCCCCCC)C(=O)C[N+]12CC[N+](CC1)(CC2)CCCCCC[N+]34CC[N+](CC3)(CC4)CC(=O)N(CCCCCCCC)CCCCCCCC.[Br-].[Br-].[Br-].[Br-]

InChI

InChI=1S/C54H108N6O2.4BrH/c1-5-9-13-17-21-27-33-55(34-28-22-18-14-10-6-2)53(61)51-59-45-39-57(40-46-59,41-47-59)37-31-25-26-32-38-58-42-48-60(49-43-58,50-44-58)52-54(62)56(35-29-23-19-15-11-7-3)36-30-24-20-16-12-8-4;;;;/h5-52H2,1-4H3;4*1H/q+4;;;;/p-4