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

Systemtic Name: dimethyl-octyl-[2-oxidanylidene-2-[[3,5,7-tris[2-[dimethyl(octyl)azaniumyl]ethanoyloxy]-1-adamantyl]oxy]ethyl]azanium Openeye Name: dimethyl-octyl-[2-oxo-2-[[3,5,7-tris[[2-[dimethyl(octyl)ammonio]acetyl]oxy]-1-adamantyl]oxy]ethyl]ammonium CAS Name: dimethyl-octyl-[2-oxo-2-[[3,5,7-tris[2-[dimethyl(octyl)ammonio]-1-oxoethoxy]-1-adamantyl]oxy]ethyl]ammonium IUPAC Name: dimethyl-octyl-[2-oxo-2-[[3,5,7-tris[[2-[dimethyl(octyl)azaniumyl]acetyl]oxy]-1-adamantyl]oxy]ethyl]azanium Traditional Name: [2-keto-2-[[3,5,7-tris[[2-[dimethyl(octyl)ammonio]acetyl]oxy]-1-adamantyl]oxy]ethyl]-dimethyl-octyl-ammonium Formula: C58H112N4O8+4 MolecularWeight: 993.53188

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+](C)(C)CC(=O)OC12CC3(CC(C1)(CC(C2)(C3)OC(=O)C[N+](C)(C)CCCCCCCC)OC(=O)C[N+](C)(C)CCCCCCCC)OC(=O)C[N+](C)(C)CCCCCCCC

Isomeric SMILES

CCCCCCCC[N+](C)(C)CC(=O)OC12CC3(CC(C1)(CC(C2)(C3)OC(=O)C[N+](C)(C)CCCCCCCC)OC(=O)C[N+](C)(C)CCCCCCCC)OC(=O)C[N+](C)(C)CCCCCCCC

InChI

InChI=1S/C58H112N4O8/c1-13-17-21-25-29-33-37-59(5,6)41-51(63)67-55-45-56(68-52(64)42-60(7,8)38-34-30-26-22-18-14-2)48-57(46-55,69-53(65)43-61(9,10)39-35-31-27-23-19-15-3)50-58(47-55,49-56)70-54(66)44-62(11,12)40-36-32-28-24-20-16-4/h13-50H2,1-12H3/q+4