[(3R)-1-(2-hydroxyethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-oxidanyl-2,2-dithiophen-2-yl-ethanoate; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: [(3R)-1-(2-hydroxyethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-oxidanyl-2,2-dithiophen-2-yl-ethanoate; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: [(3R)-1-(2-hydroxyethyl)quinuclidin-1-ium-3-yl] 2-hydroxy-2,2-bis(2-thienyl)acetate; 2,2,2-trifluoroacetate CAS Name: 2-hydroxy-2,2-dithiophen-2-ylacetic acid [(3R)-1-(2-hydroxyethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] ester; 2,2,2-trifluoroacetate IUPAC Name: [(3R)-1-(2-hydroxyethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate; 2,2,2-trifluoroacetate Traditional Name: 2-hydroxy-2,2-bis(2-thienyl)acetic acid [(3R)-1-(2-hydroxyethyl)quinuclidin-1-ium-3-yl] ester; 2,2,2-trifluoroacetate Formula: C21H24F3NO6S2 MolecularWeight: 507.54357

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1C(C2)OC(=O)C(C3=CC=CS3)(C4=CC=CS4)O)CCO.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

C1C[N+]2(CCC1[C@H](C2)OC(=O)C(C3=CC=CS3)(C4=CC=CS4)O)CCO.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C19H24NO4S2.C2HF3O2/c21-10-9-20-7-5-14(6-8-20)15(13-20)24-18(22)19(23,16-3-1-11-25-16)17-4-2-12-26-17;3-2(4,5)1(6)7/h1-4,11-12,14-15,21,23H,5-10,13H2;(H,6,7)/q+1;/p-1/t14?,15-,20?;/m0./s1