(1-phenethyl-1-azoniabicyclo[2.2.2]octan-3-yl) 2-cyclohexyl-2-(furan-2-yl)-2-oxidanyl-ethanoate

Systemtic Name: (1-phenethyl-1-azoniabicyclo[2.2.2]octan-3-yl) 2-cyclohexyl-2-(furan-2-yl)-2-oxidanyl-ethanoate Openeye Name: (1-phenethylquinuclidin-1-ium-3-yl) 2-cyclohexyl-2-(2-furyl)-2-hydroxy-acetate CAS Name: 2-cyclohexyl-2-(2-furanyl)-2-hydroxyacetic acid (1-phenethyl-1-azoniabicyclo[2.2.2]octan-3-yl) ester IUPAC Name: (1-phenethyl-1-azoniabicyclo[2.2.2]octan-3-yl) 2-cyclohexyl-2-(furan-2-yl)-2-hydroxyacetate Traditional Name: 2-cyclohexyl-2-(2-furyl)-2-hydroxy-acetic acid (1-phenethylquinuclidin-1-ium-3-yl) ester Formula: C27H36NO4+ MolecularWeight: 438.57904

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C2=CC=CO2)(C(=O)OC3C[N+]4(CCC3CC4)CCC5=CC=CC=C5)O

Isomeric SMILES

C1CCC(CC1)C(C2=CC=CO2)(C(=O)OC3C[N+]4(CCC3CC4)CCC5=CC=CC=C5)O

InChI

InChI=1S/C27H36NO4/c29-26(27(30,25-12-7-19-31-25)23-10-5-2-6-11-23)32-24-20-28(17-14-22(24)15-18-28)16-13-21-8-3-1-4-9-21/h1,3-4,7-9,12,19,22-24,30H,2,5-6,10-11,13-18,20H2/q+1