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

Systemtic Name: [(3R)-1-[2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl]-1-azoniabicyclo[2.2.2]octan-3-yl] 2-[3,3-bis(fluoranyl)cyclopentyl]-2-oxidanyl-2-phenyl-ethanoate Openeye Name: [(3R)-1-[2-(isoxazol-3-ylamino)-2-oxo-ethyl]quinuclidin-1-ium-3-yl] 2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenyl-acetate CAS Name: 2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetic acid [(3R)-1-[2-(3-isoxazolylamino)-2-oxoethyl]-1-azoniabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [(3R)-1-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-1-azoniabicyclo[2.2.2]octan-3-yl] 2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetate Traditional Name: 2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenyl-acetic acid [(3R)-1-[2-(isoxazol-3-ylamino)-2-keto-ethyl]quinuclidin-1-ium-3-yl] ester Formula: C25H30F2N3O5+ MolecularWeight: 490.519606

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC1C(C2=CC=CC=C2)(C(=O)OC3C[N+]4(CCC3CC4)CC(=O)NC5=NOC=C5)O)(F)F

Isomeric SMILES

C1CC(CC1C(C2=CC=CC=C2)(C(=O)O[C@H]3C[N+]4(CCC3CC4)CC(=O)NC5=NOC=C5)O)(F)F

InChI

InChI=1S/C25H29F2N3O5/c26-24(27)10-6-19(14-24)25(33,18-4-2-1-3-5-18)23(32)35-20-15-30(11-7-17(20)8-12-30)16-22(31)28-21-9-13-34-29-21/h1-5,9,13,17,19-20,33H,6-8,10-12,14-16H2/p+1/t17?,19?,20-,25?,30?/m0/s1