[1-(4-oxidanylidene-4-phenyl-butyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-cyclopentyl-2-oxidanyl-2-thiophen-2-yl-ethanoate

Systemtic Name: [1-(4-oxidanylidene-4-phenyl-butyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-cyclopentyl-2-oxidanyl-2-thiophen-2-yl-ethanoate Openeye Name: [1-(4-oxo-4-phenyl-butyl)quinuclidin-1-ium-3-yl] 2-cyclopentyl-2-hydroxy-2-(2-thienyl)acetate CAS Name: 2-cyclopentyl-2-hydroxy-2-thiophen-2-ylacetic acid [1-(4-oxo-4-phenylbutyl)-1-azoniabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [1-(4-oxo-4-phenylbutyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-cyclopentyl-2-hydroxy-2-thiophen-2-ylacetate Traditional Name: 2-cyclopentyl-2-hydroxy-2-(2-thienyl)acetic acid [1-(4-keto-4-phenyl-butyl)quinuclidin-1-ium-3-yl] ester Formula: C28H36NO4S+ MolecularWeight: 482.65474

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(C2=CC=CS2)(C(=O)OC3C[N+]4(CCC3CC4)CCCC(=O)C5=CC=CC=C5)O

Isomeric SMILES

C1CCC(C1)C(C2=CC=CS2)(C(=O)OC3C[N+]4(CCC3CC4)CCCC(=O)C5=CC=CC=C5)O

InChI

InChI=1S/C28H36NO4S/c30-24(21-8-2-1-3-9-21)12-6-16-29-17-14-22(15-18-29)25(20-29)33-27(31)28(32,23-10-4-5-11-23)26-13-7-19-34-26/h1-3,7-9,13,19,22-23,25,32H,4-6,10-12,14-18,20H2/q+1