2-adamantyl-[2-[4-[2-[2-adamantyl(dimethyl)azaniumyl]ethoxy]-4-oxidanylidene-butanoyl]oxyethyl]-dimethyl-azanium diiodide

Systemtic Name: 2-adamantyl-[2-[4-[2-[2-adamantyl(dimethyl)azaniumyl]ethoxy]-4-oxidanylidene-butanoyl]oxyethyl]-dimethyl-azanium diiodide Openeye Name: 2-adamantyl-[2-[4-[2-[2-adamantyl(dimethyl)ammonio]ethoxy]-4-oxo-butanoyl]oxyethyl]-dimethyl-ammonium diiodide CAS Name: 2-adamantyl-[2-[4-[2-[2-adamantyl(dimethyl)ammonio]ethoxy]-1,4-dioxobutoxy]ethyl]-dimethylammonium diiodide IUPAC Name: 2-adamantyl-[2-[4-[2-[2-adamantyl(dimethyl)azaniumyl]ethoxy]-4-oxobutanoyl]oxyethyl]-dimethylazanium diiodide Traditional Name: 2-adamantyl-[2-[4-[2-[2-adamantyl(dimethyl)ammonio]ethoxy]-4-keto-butanoyl]oxyethyl]-dimethyl-ammonium diiodide Formula: C32H54I2N2O4 MolecularWeight: 784.5911

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCOC(=O)CCC(=O)OCC[N+](C)(C)C1C2CC3CC(C2)CC1C3)C4C5CC6CC(C5)CC4C6.[I-].[I-]

Isomeric SMILES

C[N+](C)(CCOC(=O)CCC(=O)OCC[N+](C)(C)C1C2CC3CC(C2)CC1C3)C4C5CC6CC(C5)CC4C6.[I-].[I-]

InChI

InChI=1S/C32H54N2O4.2HI/c1-33(2,31-25-13-21-11-22(15-25)16-26(31)14-21)7-9-37-29(35)5-6-30(36)38-10-8-34(3,4)32-27-17-23-12-24(19-27)20-28(32)18-23;;/h21-28,31-32H,5-20H2,1-4H3;2*1H/q+2;;/p-2