(1-phenethyl-1-azoniabicyclo[2.2.2]octan-3-yl) 2-cyclopentyl-2-oxidanyl-2-thiophen-2-yl-ethanoate

Systemtic Name: (1-phenethyl-1-azoniabicyclo[2.2.2]octan-3-yl) 2-cyclopentyl-2-oxidanyl-2-thiophen-2-yl-ethanoate Openeye Name: (1-phenethylquinuclidin-1-ium-3-yl) 2-cyclopentyl-2-hydroxy-2-(2-thienyl)acetate CAS Name: 2-cyclopentyl-2-hydroxy-2-thiophen-2-ylacetic acid (1-phenethyl-1-azoniabicyclo[2.2.2]octan-3-yl) ester IUPAC Name: (1-phenethyl-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-phenethylquinuclidin-1-ium-3-yl) ester Formula: C26H34NO3S+ MolecularWeight: 440.61806

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(C2=CC=CS2)(C(=O)OC3C[N+]4(CCC3CC4)CCC5=CC=CC=C5)O

Isomeric SMILES

C1CCC(C1)C(C2=CC=CS2)(C(=O)OC3C[N+]4(CCC3CC4)CCC5=CC=CC=C5)O

InChI

InChI=1S/C26H34NO3S/c28-25(26(29,22-9-4-5-10-22)24-11-6-18-31-24)30-23-19-27(16-13-21(23)14-17-27)15-12-20-7-2-1-3-8-20/h1-3,6-8,11,18,21-23,29H,4-5,9-10,12-17,19H2/q+1