2-[3-(2-oxidanyl-2,2-diphenyl-ethanoyl)oxy-1-azoniabicyclo[2.2.2]octan-1-yl]ethanoate

Systemtic Name: 2-[3-(2-oxidanyl-2,2-diphenyl-ethanoyl)oxy-1-azoniabicyclo[2.2.2]octan-1-yl]ethanoate Openeye Name: 2-[3-(2-hydroxy-2,2-diphenyl-acetyl)oxyquinuclidin-1-ium-1-yl]acetate CAS Name: 2-[3-(2-hydroxy-1-oxo-2,2-diphenylethoxy)-1-azoniabicyclo[2.2.2]octan-1-yl]acetate IUPAC Name: 2-[3-(2-hydroxy-2,2-diphenylacetyl)oxy-1-azoniabicyclo[2.2.2]octan-1-yl]acetate Traditional Name: 2-(3-benziloyloxyquinuclidin-1-ium-1-yl)acetate Formula: C23H25NO5 MolecularWeight: 395.4483

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1C(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)CC(=O)[O-]

Isomeric SMILES

C1C[N+]2(CCC1C(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)CC(=O)[O-]

InChI

InChI=1S/C23H25NO5/c25-21(26)16-24-13-11-17(12-14-24)20(15-24)29-22(27)23(28,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,17,20,28H,11-16H2