[(3R)-1-(5-oxidanylpentyl)-1-azoniabicyclo[2.2.2]octan-3-yl] (2S)-2-cyclopentyl-2-oxidanyl-2-thiophen-2-yl-ethanoate bromide

Systemtic Name: [(3R)-1-(5-oxidanylpentyl)-1-azoniabicyclo[2.2.2]octan-3-yl] (2S)-2-cyclopentyl-2-oxidanyl-2-thiophen-2-yl-ethanoate bromide Openeye Name: [(3R)-1-(5-hydroxypentyl)quinuclidin-1-ium-3-yl] (2S)-2-cyclopentyl-2-hydroxy-2-(2-thienyl)acetate bromide CAS Name: (2S)-2-cyclopentyl-2-hydroxy-2-thiophen-2-ylacetic acid [(3R)-1-(5-hydroxypentyl)-1-azoniabicyclo[2.2.2]octan-3-yl] ester bromide IUPAC Name: [(3R)-1-(5-hydroxypentyl)-1-azoniabicyclo[2.2.2]octan-3-yl] (2S)-2-cyclopentyl-2-hydroxy-2-thiophen-2-ylacetate bromide Traditional Name: (2S)-2-cyclopentyl-2-hydroxy-2-(2-thienyl)acetic acid [(3R)-1-(5-hydroxypentyl)quinuclidin-1-ium-3-yl] ester bromide Formula: C23H36BrNO4S MolecularWeight: 502.50524

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(C2=CC=CS2)(C(=O)OC3C[N+]4(CCC3CC4)CCCCCO)O.[Br-]

Isomeric SMILES

C1CCC(C1)[C@@](C2=CC=CS2)(C(=O)O[C@H]3C[N+]4(CCC3CC4)CCCCCO)O.[Br-]

InChI

InChI=1S/C23H36NO4S.BrH/c25-15-5-1-4-12-24-13-10-18(11-14-24)20(17-24)28-22(26)23(27,19-7-2-3-8-19)21-9-6-16-29-21;/h6,9,16,18-20,25,27H,1-5,7-8,10-15,17H2;1H/q+1;/p-1/t18?,20-,23+,24?;/m0./s1