2-[[3-[2-(dimethylazaniumyl)ethoxycarbonyl]-1-adamantyl]carbonyloxy]ethyl-dimethyl-azanium dichloride

Systemtic Name: 2-[[3-[2-(dimethylazaniumyl)ethoxycarbonyl]-1-adamantyl]carbonyloxy]ethyl-dimethyl-azanium dichloride Openeye Name: 2-[3-[2-(dimethylammonio)ethoxycarbonyl]adamantane-1-carbonyl]oxyethyl-dimethyl-ammonium dichloride CAS Name: 2-[[3-[2-(dimethylammonio)ethoxy-oxomethyl]-1-adamantyl]-oxomethoxy]ethyl-dimethylammonium dichloride IUPAC Name: 2-[3-[2-(dimethylazaniumyl)ethoxycarbonyl]adamantane-1-carbonyl]oxyethyl-dimethylazanium dichloride Traditional Name: 2-[3-[2-(dimethylammonio)ethoxycarbonyl]adamantane-1-carbonyl]oxyethyl-dimethyl-ammonium dichloride Formula: C20H36Cl2N2O4 MolecularWeight: 439.41684

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCOC(=O)C12CC3CC(C1)CC(C3)(C2)C(=O)OCC[NH+](C)C.[Cl-].[Cl-]

Isomeric SMILES

C[NH+](C)CCOC(=O)C12CC3CC(C1)CC(C3)(C2)C(=O)OCC[NH+](C)C.[Cl-].[Cl-]

InChI

InChI=1S/C20H34N2O4.2ClH/c1-21(2)5-7-25-17(23)19-10-15-9-16(11-19)13-20(12-15,14-19)18(24)26-8-6-22(3)4;;/h15-16H,5-14H2,1-4H3;2*1H