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

Systemtic Name: [1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-cyclohexyl-2-oxidanyl-2-thiophen-2-yl-ethanoate Openeye Name: [1-(3-phenoxypropyl)quinuclidin-1-ium-3-yl] 2-cyclohexyl-2-hydroxy-2-(2-thienyl)acetate CAS Name: 2-cyclohexyl-2-hydroxy-2-thiophen-2-ylacetic 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-hydroxy-2-thiophen-2-ylacetate Traditional Name: 2-cyclohexyl-2-hydroxy-2-(2-thienyl)acetic acid [1-(3-phenoxypropyl)quinuclidin-1-ium-3-yl] ester Formula: C28H38NO4S+ MolecularWeight: 484.67062

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C2=CC=CS2)(C(=O)OC3C[N+]4(CCC3CC4)CCCOC5=CC=CC=C5)O

Isomeric SMILES

C1CCC(CC1)C(C2=CC=CS2)(C(=O)OC3C[N+]4(CCC3CC4)CCCOC5=CC=CC=C5)O

InChI

InChI=1S/C28H38NO4S/c30-27(28(31,26-13-7-20-34-26)23-9-3-1-4-10-23)33-25-21-29(17-14-22(25)15-18-29)16-8-19-32-24-11-5-2-6-12-24/h2,5-7,11-13,20,22-23,25,31H,1,3-4,8-10,14-19,21H2/q+1