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

Systemtic Name: [(3R)-1-prop-2-enyl-1-azoniabicyclo[2.2.2]octan-3-yl] 2-(furan-2-yl)-2-oxidanyl-2-phenyl-ethanoate Openeye Name: [(3R)-1-allylquinuclidin-1-ium-3-yl] 2-(2-furyl)-2-hydroxy-2-phenyl-acetate CAS Name: 2-(2-furanyl)-2-hydroxy-2-phenylacetic acid [(3R)-1-prop-2-enyl-1-azoniabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [(3R)-1-prop-2-enyl-1-azoniabicyclo[2.2.2]octan-3-yl] 2-(furan-2-yl)-2-hydroxy-2-phenylacetate Traditional Name: 2-(2-furyl)-2-hydroxy-2-phenyl-acetic acid [(3R)-1-allylquinuclidin-1-ium-3-yl] ester Formula: C22H26NO4+ MolecularWeight: 368.44614

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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=CO4)O

Isomeric SMILES

C=CC[N+]12CCC(CC1)[C@H](C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CO4)O

InChI

InChI=1S/C22H26NO4/c1-2-12-23-13-10-17(11-14-23)19(16-23)27-21(24)22(25,20-9-6-15-26-20)18-7-4-3-5-8-18/h2-9,15,17,19,25H,1,10-14,16H2/q+1/t17?,19-,22?,23?/m0/s1