[(3R)-1-[2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl]-1-azoniabicyclo[2.2.2]octan-3-yl] 2-cyclopentyl-2-(furan-2-yl)-2-oxidanyl-ethanoate bromide

Systemtic Name: [(3R)-1-[2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl]-1-azoniabicyclo[2.2.2]octan-3-yl] 2-cyclopentyl-2-(furan-2-yl)-2-oxidanyl-ethanoate bromide Openeye Name: [(3R)-1-[2-(isoxazol-3-ylamino)-2-oxo-ethyl]quinuclidin-1-ium-3-yl] 2-cyclopentyl-2-(2-furyl)-2-hydroxy-acetate bromide CAS Name: 2-cyclopentyl-2-(2-furanyl)-2-hydroxyacetic acid [(3R)-1-[2-(3-isoxazolylamino)-2-oxoethyl]-1-azoniabicyclo[2.2.2]octan-3-yl] ester bromide IUPAC Name: [(3R)-1-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-1-azoniabicyclo[2.2.2]octan-3-yl] 2-cyclopentyl-2-(furan-2-yl)-2-hydroxyacetate bromide Traditional Name: 2-cyclopentyl-2-(2-furyl)-2-hydroxy-acetic acid [(3R)-1-[2-(isoxazol-3-ylamino)-2-keto-ethyl]quinuclidin-1-ium-3-yl] ester bromide Formula: C23H30BrN3O6 MolecularWeight: 524.4048

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(C2=CC=CO2)(C(=O)OC3C[N+]4(CCC3CC4)CC(=O)NC5=NOC=C5)O.[Br-]

Isomeric SMILES

C1CCC(C1)C(C2=CC=CO2)(C(=O)O[C@H]3C[N+]4(CCC3CC4)CC(=O)NC5=NOC=C5)O.[Br-]

InChI

InChI=1S/C23H29N3O6.BrH/c27-21(24-20-9-13-31-25-20)15-26-10-7-16(8-11-26)18(14-26)32-22(28)23(29,17-4-1-2-5-17)19-6-3-12-30-19;/h3,6,9,12-13,16-18,29H,1-2,4-5,7-8,10-11,14-15H2;1H/t16?,18-,23?,26?;/m0./s1