1-azabicyclo[2.2.2]octan-3-yl 2-(hydroxymethyl)-4-methylsulfinyl-2-phenyl-butanoate hydrobromide

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-yl 2-(hydroxymethyl)-4-methylsulfinyl-2-phenyl-butanoate hydrobromide Openeye Name: quinuclidin-3-yl 2-(hydroxymethyl)-4-methylsulfinyl-2-phenyl-butanoate hydrobromide CAS Name: 2-(hydroxymethyl)-4-methylsulfinyl-2-phenylbutanoic acid 1-azabicyclo[2.2.2]octan-3-yl ester hydrobromide IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl 2-(hydroxymethyl)-4-methylsulfinyl-2-phenylbutanoate hydrobromide Traditional Name: 2-methylol-4-methylsulfinyl-2-phenyl-butyric acid quinuclidin-3-yl ester hydrobromide Formula: C19H28BrNO4S MolecularWeight: 446.39892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)CCC(CO)(C1=CC=CC=C1)C(=O)OC2CN3CCC2CC3.Br

Isomeric SMILES

CS(=O)CCC(CO)(C1=CC=CC=C1)C(=O)OC2CN3CCC2CC3.Br

InChI

InChI=1S/C19H27NO4S.BrH/c1-25(23)12-9-19(14-21,16-5-3-2-4-6-16)18(22)24-17-13-20-10-7-15(17)8-11-20;/h2-6,15,17,21H,7-14H2,1H3;1H