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

Systemtic Name: [(3R)-1-[2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl]-1-azoniabicyclo[2.2.2]octan-3-yl] 2-cyclohexyl-2-oxidanyl-2-thiophen-2-yl-ethanoate bromide Openeye Name: [(3R)-1-[2-(isoxazol-3-ylamino)-2-oxo-ethyl]quinuclidin-1-ium-3-yl] 2-cyclohexyl-2-hydroxy-2-(2-thienyl)acetate bromide CAS Name: 2-cyclohexyl-2-hydroxy-2-thiophen-2-ylacetic 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-cyclohexyl-2-hydroxy-2-thiophen-2-ylacetate bromide Traditional Name: 2-cyclohexyl-2-hydroxy-2-(2-thienyl)acetic acid [(3R)-1-[2-(isoxazol-3-ylamino)-2-keto-ethyl]quinuclidin-1-ium-3-yl] ester bromide Formula: C24H32BrN3O5S MolecularWeight: 554.49698

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C2=CC=CS2)(C(=O)OC3C[N+]4(CCC3CC4)CC(=O)NC5=NOC=C5)O.[Br-]

Isomeric SMILES

C1CCC(CC1)C(C2=CC=CS2)(C(=O)O[C@H]3C[N+]4(CCC3CC4)CC(=O)NC5=NOC=C5)O.[Br-]

InChI

InChI=1S/C24H31N3O5S.BrH/c28-22(25-21-10-13-31-26-21)16-27-11-8-17(9-12-27)19(15-27)32-23(29)24(30,20-7-4-14-33-20)18-5-2-1-3-6-18;/h4,7,10,13-14,17-19,30H,1-3,5-6,8-9,11-12,15-16H2;1H/t17?,19-,24?,27?;/m0./s1