[(3R)-1-(4-methylpent-3-enyl)-1-azoniabicyclo[2.2.2]octan-3-yl] (2S)-2-cyclopentyl-2-oxidanyl-2-thiophen-2-yl-ethanoate bromide

Systemtic Name: [(3R)-1-(4-methylpent-3-enyl)-1-azoniabicyclo[2.2.2]octan-3-yl] (2S)-2-cyclopentyl-2-oxidanyl-2-thiophen-2-yl-ethanoate bromide Openeye Name: [(3R)-1-(4-methylpent-3-enyl)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-(4-methylpent-3-enyl)-1-azoniabicyclo[2.2.2]octan-3-yl] ester bromide IUPAC Name: [(3R)-1-(4-methylpent-3-enyl)-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-(4-methylpent-3-enyl)quinuclidin-1-ium-3-yl] ester bromide Formula: C24H36BrNO3S MolecularWeight: 498.51654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC[N+]12CCC(CC1)C(C2)OC(=O)C(C3CCCC3)(C4=CC=CS4)O)C.[Br-]

Isomeric SMILES

CC(=CCC[N+]12CCC(CC1)[C@H](C2)OC(=O)[C@@](C3CCCC3)(C4=CC=CS4)O)C.[Br-]

InChI

InChI=1S/C24H36NO3S.BrH/c1-18(2)7-5-13-25-14-11-19(12-15-25)21(17-25)28-23(26)24(27,20-8-3-4-9-20)22-10-6-16-29-22;/h6-7,10,16,19-21,27H,3-5,8-9,11-15,17H2,1-2H3;1H/q+1;/p-1/t19?,21-,24+,25?;/m0./s1