[1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-4-yl] 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: [1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-4-yl] 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate Openeye Name: [1-(3-phenoxypropyl)quinuclidin-1-ium-4-yl] 2-cyclohexyl-2-hydroxy-2-phenyl-acetate CAS Name: 2-cyclohexyl-2-hydroxy-2-phenylacetic acid [1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-4-yl] ester IUPAC Name: [1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-4-yl] 2-cyclohexyl-2-hydroxy-2-phenylacetate Traditional Name: 2-cyclohexyl-2-hydroxy-2-phenyl-acetic acid [1-(3-phenoxypropyl)quinuclidin-1-ium-4-yl] ester Formula: C30H40NO4+ MolecularWeight: 478.6429

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C2=CC=CC=C2)(C(=O)OC34CC[N+](CC3)(CC4)CCCOC5=CC=CC=C5)O

Isomeric SMILES

C1CCC(CC1)C(C2=CC=CC=C2)(C(=O)OC34CC[N+](CC3)(CC4)CCCOC5=CC=CC=C5)O

InChI

InChI=1S/C30H40NO4/c32-28(30(33,25-11-4-1-5-12-25)26-13-6-2-7-14-26)35-29-17-21-31(22-18-29,23-19-29)20-10-24-34-27-15-8-3-9-16-27/h1,3-5,8-9,11-12,15-16,26,33H,2,6-7,10,13-14,17-24H2/q+1