(S)-[(1S,2R,4S,5R)-5-ethyl-1-[[2,3,4,5,6-pentakis(fluoranyl)phenyl]methyl]-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol

Systemtic Name: (S)-[(1S,2R,4S,5R)-5-ethyl-1-[[2,3,4,5,6-pentakis(fluoranyl)phenyl]methyl]-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol Openeye Name: (S)-[(1S,2R,4S,5R)-5-ethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]quinuclidin-1-ium-2-yl]-(6-methoxy-4-quinolyl)methanol CAS Name: (S)-[(1S,2R,4S,5R)-5-ethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxy-4-quinolinyl)methanol IUPAC Name: (S)-[(1S,2R,4S,5R)-5-ethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol Traditional Name: (S)-[(1S,2R,4S,5R)-5-ethyl-1-(2,3,4,5,6-pentafluorobenzyl)quinuclidin-1-ium-2-yl]-(6-methoxy-4-quinolyl)methanol Formula: C27H28F5N2O2+ MolecularWeight: 507.515436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C[N+]2(CCC1CC2C(C3=C4C=C(C=CC4=NC=C3)OC)O)CC5=C(C(=C(C(=C5F)F)F)F)F

Isomeric SMILES

CC[C@H]1C[N@@+]2(CC[C@H]1C[C@@H]2[C@H](C3=C4C=C(C=CC4=NC=C3)OC)O)CC5=C(C(=C(C(=C5F)F)F)F)F

InChI

InChI=1S/C27H28F5N2O2/c1-3-14-12-34(13-19-22(28)24(30)26(32)25(31)23(19)29)9-7-15(14)10-21(34)27(35)17-6-8-33-20-5-4-16(36-2)11-18(17)20/h4-6,8,11,14-15,21,27,35H,3,7,9-10,12-13H2,1-2H3/q+1/t14-,15-,21+,27-,34-/m0/s1