[(3R)-1-prop-2-enyl-1-azoniabicyclo[2.2.2]octan-3-yl] 2-oxidanyl-2-phenyl-2-thiophen-2-yl-ethanoate bromide

Systemtic Name: [(3R)-1-prop-2-enyl-1-azoniabicyclo[2.2.2]octan-3-yl] 2-oxidanyl-2-phenyl-2-thiophen-2-yl-ethanoate bromide Openeye Name: [(3R)-1-allylquinuclidin-1-ium-3-yl] 2-hydroxy-2-phenyl-2-(2-thienyl)acetate bromide CAS Name: 2-hydroxy-2-phenyl-2-thiophen-2-ylacetic acid [(3R)-1-prop-2-enyl-1-azoniabicyclo[2.2.2]octan-3-yl] ester bromide IUPAC Name: [(3R)-1-prop-2-enyl-1-azoniabicyclo[2.2.2]octan-3-yl] 2-hydroxy-2-phenyl-2-thiophen-2-ylacetate bromide Traditional Name: 2-hydroxy-2-phenyl-2-(2-thienyl)acetic acid [(3R)-1-allylquinuclidin-1-ium-3-yl] ester bromide Formula: C22H26BrNO3S MolecularWeight: 464.41574

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[N+]12CCC(CC1)C(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CS4)O.[Br-]

Isomeric SMILES

C=CC[N+]12CCC(CC1)[C@H](C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CS4)O.[Br-]

InChI

InChI=1S/C22H26NO3S.BrH/c1-2-12-23-13-10-17(11-14-23)19(16-23)26-21(24)22(25,20-9-6-15-27-20)18-7-4-3-5-8-18;/h2-9,15,17,19,25H,1,10-14,16H2;1H/q+1;/p-1/t17?,19-,22?,23?;/m0./s1