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

Systemtic Name: [1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-cyclohexyl-2-(furan-2-yl)-2-oxidanyl-ethanoate Openeye Name: [1-(3-phenoxypropyl)quinuclidin-1-ium-3-yl] 2-cyclohexyl-2-(2-furyl)-2-hydroxy-acetate CAS Name: 2-cyclohexyl-2-(2-furanyl)-2-hydroxyacetic acid [1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [1-(3-phenoxypropyl)-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-(3-phenoxypropyl)quinuclidin-1-ium-3-yl] ester Formula: C28H38NO5+ MolecularWeight: 468.60502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C2=CC=CO2)(C(=O)OC3C[N+]4(CCC3CC4)CCCOC5=CC=CC=C5)O

Isomeric SMILES

C1CCC(CC1)C(C2=CC=CO2)(C(=O)OC3C[N+]4(CCC3CC4)CCCOC5=CC=CC=C5)O

InChI

InChI=1S/C28H38NO5/c30-27(28(31,26-13-7-19-33-26)23-9-3-1-4-10-23)34-25-21-29(17-14-22(25)15-18-29)16-8-20-32-24-11-5-2-6-12-24/h2,5-7,11-13,19,22-23,25,31H,1,3-4,8-10,14-18,20-21H2/q+1