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

Systemtic Name: [1-(3-phenylpropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-cyclohexyl-2-(furan-2-yl)-2-oxidanyl-ethanoate Openeye Name: [1-(3-phenylpropyl)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-phenylpropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [1-(3-phenylpropyl)-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-phenylpropyl)quinuclidin-1-ium-3-yl] ester Formula: C28H38NO4+ MolecularWeight: 452.60562

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C2=CC=CO2)(C(=O)OC3C[N+]4(CCC3CC4)CCCC5=CC=CC=C5)O

Isomeric SMILES

C1CCC(CC1)C(C2=CC=CO2)(C(=O)OC3C[N+]4(CCC3CC4)CCCC5=CC=CC=C5)O

InChI

InChI=1S/C28H38NO4/c30-27(28(31,26-14-8-20-32-26)24-12-5-2-6-13-24)33-25-21-29(18-15-23(25)16-19-29)17-7-11-22-9-3-1-4-10-22/h1,3-4,8-10,14,20,23-25,31H,2,5-7,11-13,15-19,21H2/q+1