(1-phenethyl-1-azoniabicyclo[2.2.2]octan-2-yl) 2-(furan-2-yl)-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: (1-phenethyl-1-azoniabicyclo[2.2.2]octan-2-yl) 2-(furan-2-yl)-2-oxidanyl-2-phenyl-ethanoate Openeye Name: (1-phenethylquinuclidin-1-ium-2-yl) 2-(2-furyl)-2-hydroxy-2-phenyl-acetate CAS Name: 2-(2-furanyl)-2-hydroxy-2-phenylacetic acid (1-phenethyl-1-azoniabicyclo[2.2.2]octan-2-yl) ester IUPAC Name: (1-phenethyl-1-azoniabicyclo[2.2.2]octan-2-yl) 2-(furan-2-yl)-2-hydroxy-2-phenylacetate Traditional Name: 2-(2-furyl)-2-hydroxy-2-phenyl-acetic acid (1-phenethylquinuclidin-1-ium-2-yl) ester Formula: C27H30NO4+ MolecularWeight: 432.5314

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1CC2OC(=O)C(C3=CC=CC=C3)(C4=CC=CO4)O)CCC5=CC=CC=C5

Isomeric SMILES

C1C[N+]2(CCC1CC2OC(=O)C(C3=CC=CC=C3)(C4=CC=CO4)O)CCC5=CC=CC=C5

InChI

InChI=1S/C27H30NO4/c29-26(27(30,24-12-7-19-31-24)23-10-5-2-6-11-23)32-25-20-22-14-17-28(25,18-15-22)16-13-21-8-3-1-4-9-21/h1-12,19,22,25,30H,13-18,20H2/q+1