methyl 1-[2-[2-(3-methoxycarbonyl-1-azoniabicyclo[2.2.2]octan-1-yl)ethoxy]ethyl]-1-azoniabicyclo[2.2.2]octane-3-carboxylate

Systemtic Name: methyl 1-[2-[2-(3-methoxycarbonyl-1-azoniabicyclo[2.2.2]octan-1-yl)ethoxy]ethyl]-1-azoniabicyclo[2.2.2]octane-3-carboxylate Openeye Name: methyl 1-[2-[2-(3-methoxycarbonylquinuclidin-1-ium-1-yl)ethoxy]ethyl]quinuclidin-1-ium-3-carboxylate CAS Name: 1-[2-[2-(3-methoxycarbonyl-1-azoniabicyclo[2.2.2]octan-1-yl)ethoxy]ethyl]-1-azoniabicyclo[2.2.2]octane-3-carboxylic acid methyl ester IUPAC Name: methyl 1-[2-[2-(3-methoxycarbonyl-1-azoniabicyclo[2.2.2]octan-1-yl)ethoxy]ethyl]-1-azoniabicyclo[2.2.2]octane-3-carboxylate Traditional Name: 1-[2-[2-(3-carbomethoxyquinuclidin-1-ium-1-yl)ethoxy]ethyl]quinuclidin-1-ium-3-carboxylic acid methyl ester Formula: C22H38N2O5+2 MolecularWeight: 410.54752

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C[N+]2(CCC1CC2)CCOCC[N+]34CCC(CC3)C(C4)C(=O)OC

Isomeric SMILES

COC(=O)C1C[N+]2(CCC1CC2)CCOCC[N+]34CCC(CC3)C(C4)C(=O)OC

InChI

InChI=1S/C22H38N2O5/c1-27-21(25)19-15-23(7-3-17(19)4-8-23)11-13-29-14-12-24-9-5-18(6-10-24)20(16-24)22(26)28-2/h17-20H,3-16H2,1-2H3/q+2