(R)-[(1R,2S,4R,5R)-1-[[3,5-bis(phenylmethoxy)phenyl]methyl]-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol bromide

Systemtic Name: (R)-[(1R,2S,4R,5R)-1-[[3,5-bis(phenylmethoxy)phenyl]methyl]-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol bromide Openeye Name: (R)-[(1R,2S,4R,5R)-1-[(3,5-dibenzyloxyphenyl)methyl]-5-vinyl-quinuclidin-1-ium-2-yl]-(6-methoxy-4-quinolyl)methanol bromide CAS Name: (R)-[(1R,2S,4R,5R)-1-[[3,5-bis(phenylmethoxy)phenyl]methyl]-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxy-4-quinolinyl)methanol bromide IUPAC Name: (R)-[(1R,2S,4R,5R)-1-[[3,5-bis(phenylmethoxy)phenyl]methyl]-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol bromide Traditional Name: (R)-[(1R,2S,4R,5R)-1-(3,5-dibenzoxybenzyl)-5-vinyl-quinuclidin-1-ium-2-yl]-(6-methoxy-4-quinolyl)methanol bromide Formula: C41H43BrN2O4 MolecularWeight: 707.69512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CC[N+]3(CC4C=C)CC5=CC(=CC(=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)O.[Br-]

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@H]4CC[N@@+]3(C[C@@H]4C=C)CC5=CC(=CC(=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)O.[Br-]

InChI

InChI=1S/C41H43N2O4.BrH/c1-3-32-26-43(19-17-33(32)22-40(43)41(44)37-16-18-42-39-15-14-34(45-2)24-38(37)39)25-31-20-35(46-27-29-10-6-4-7-11-29)23-36(21-31)47-28-30-12-8-5-9-13-30;/h3-16,18,20-21,23-24,32-33,40-41,44H,1,17,19,22,25-28H2,2H3;1H/q+1;/p-1/t32-,33+,40-,41+,43-;/m0./s1