hexyl-dimethyl-[2-oxidanylidene-2-[[3,5,7-tris[2-[hexyl(dimethyl)azaniumyl]ethanoyloxy]-1-adamantyl]oxy]ethyl]azanium tetrabromide

Systemtic Name: hexyl-dimethyl-[2-oxidanylidene-2-[[3,5,7-tris[2-[hexyl(dimethyl)azaniumyl]ethanoyloxy]-1-adamantyl]oxy]ethyl]azanium tetrabromide Openeye Name: hexyl-dimethyl-[2-oxo-2-[[3,5,7-tris[[2-[hexyl(dimethyl)ammonio]acetyl]oxy]-1-adamantyl]oxy]ethyl]ammonium tetrabromide CAS Name: hexyl-dimethyl-[2-oxo-2-[[3,5,7-tris[2-[hexyl(dimethyl)ammonio]-1-oxoethoxy]-1-adamantyl]oxy]ethyl]ammonium tetrabromide IUPAC Name: hexyl-dimethyl-[2-oxo-2-[[3,5,7-tris[[2-[hexyl(dimethyl)azaniumyl]acetyl]oxy]-1-adamantyl]oxy]ethyl]azanium tetrabromide Traditional Name: hexyl-[2-keto-2-[[3,5,7-tris[[2-[hexyl(dimethyl)ammonio]acetyl]oxy]-1-adamantyl]oxy]ethyl]-dimethyl-ammonium tetrabromide Formula: C50H96Br4N4O8 MolecularWeight: 1200.93524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+](C)(C)CC(=O)OC12CC3(CC(C1)(CC(C2)(C3)OC(=O)C[N+](C)(C)CCCCCC)OC(=O)C[N+](C)(C)CCCCCC)OC(=O)C[N+](C)(C)CCCCCC.[Br-].[Br-].[Br-].[Br-]

Isomeric SMILES

CCCCCC[N+](C)(C)CC(=O)OC12CC3(CC(C1)(CC(C2)(C3)OC(=O)C[N+](C)(C)CCCCCC)OC(=O)C[N+](C)(C)CCCCCC)OC(=O)C[N+](C)(C)CCCCCC.[Br-].[Br-].[Br-].[Br-]

InChI

InChI=1S/C50H96N4O8.4BrH/c1-13-17-21-25-29-51(5,6)33-43(55)59-47-37-48(60-44(56)34-52(7,8)30-26-22-18-14-2)40-49(38-47,61-45(57)35-53(9,10)31-27-23-19-15-3)42-50(39-47,41-48)62-46(58)36-54(11,12)32-28-24-20-16-4;;;;/h13-42H2,1-12H3;4*1H/q+4;;;;/p-4