[(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-thiophen-2-yl-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-thiophen-2-yl-ethanoate Openeye Name: [(3R)-1-[2-(isoxazol-3-ylamino)-2-oxo-ethyl]quinuclidin-1-ium-3-yl] 2-(3,3-difluorocyclopentyl)-2-hydroxy-2-(2-thienyl)acetate CAS Name: 2-(3,3-difluorocyclopentyl)-2-hydroxy-2-thiophen-2-ylacetic 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-thiophen-2-ylacetate Traditional Name: 2-(3,3-difluorocyclopentyl)-2-hydroxy-2-(2-thienyl)acetic acid [(3R)-1-[2-(isoxazol-3-ylamino)-2-keto-ethyl]quinuclidin-1-ium-3-yl] ester Formula: C23H28F2N3O5S+ MolecularWeight: 496.547326

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC1C(C2=CC=CS2)(C(=O)OC3C[N+]4(CCC3CC4)CC(=O)NC5=NOC=C5)O)(F)F

Isomeric SMILES

C1CC(CC1C(C2=CC=CS2)(C(=O)O[C@H]3C[N+]4(CCC3CC4)CC(=O)NC5=NOC=C5)O)(F)F

InChI

InChI=1S/C23H27F2N3O5S/c24-22(25)7-3-16(12-22)23(31,18-2-1-11-34-18)21(30)33-17-13-28(8-4-15(17)5-9-28)14-20(29)26-19-6-10-32-27-19/h1-2,6,10-11,15-17,31H,3-5,7-9,12-14H2/p+1/t15?,16?,17-,23?,28?/m0/s1