(R)-[(2S,4S,5R)-5-ethenyl-1-(phenylmethyl)-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-yl-methanol bromide

Systemtic Name: (R)-[(2S,4S,5R)-5-ethenyl-1-(phenylmethyl)-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-yl-methanol bromide Openeye Name: (R)-[(2S,4S,5R)-1-benzyl-5-vinyl-quinuclidin-1-ium-2-yl]-(4-quinolyl)methanol bromide CAS Name: (R)-[(2S,4S,5R)-5-ethenyl-1-(phenylmethyl)-1-azoniabicyclo[2.2.2]octan-2-yl]-(4-quinolinyl)methanol bromide IUPAC Name: (R)-[(2S,4S,5R)-1-benzyl-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol bromide Traditional Name: (R)-[(2S,4S,5R)-1-benzyl-5-vinyl-quinuclidin-1-ium-2-yl]-(4-quinolyl)methanol bromide Formula: C26H29BrN2O MolecularWeight: 465.42526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CC1C[N+]2(CCC1CC2C(C3=CC=NC4=CC=CC=C34)O)CC5=CC=CC=C5.[Br-]

Isomeric SMILES

C=C[C@H]1C[N+]2(CC[C@H]1C[C@H]2[C@@H](C3=CC=NC4=CC=CC=C34)O)CC5=CC=CC=C5.[Br-]

InChI

InChI=1S/C26H29N2O.BrH/c1-2-20-18-28(17-19-8-4-3-5-9-19)15-13-21(20)16-25(28)26(29)23-12-14-27-24-11-7-6-10-22(23)24;/h2-12,14,20-21,25-26,29H,1,13,15-18H2;1H/q+1;/p-1/t20-,21-,25-,26+,28?;/m0./s1