(5-ethenyl-1-heptyl-1-azoniabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol bromide

Systemtic Name: (5-ethenyl-1-heptyl-1-azoniabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol bromide Openeye Name: (1-heptyl-5-vinyl-quinuclidin-1-ium-2-yl)-(6-methoxy-4-quinolyl)methanol bromide CAS Name: (5-ethenyl-1-heptyl-1-azoniabicyclo[2.2.2]octan-2-yl)-(6-methoxy-4-quinolinyl)methanol bromide IUPAC Name: (5-ethenyl-1-heptyl-1-azoniabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol bromide Traditional Name: (1-heptyl-5-vinyl-quinuclidin-1-ium-2-yl)-(6-methoxy-4-quinolyl)methanol bromide Formula: C27H39BrN2O2 MolecularWeight: 503.51476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[N+]12CCC(CC1C(C3=C4C=C(C=CC4=NC=C3)OC)O)C(C2)C=C.[Br-]

Isomeric SMILES

CCCCCCC[N+]12CCC(CC1C(C3=C4C=C(C=CC4=NC=C3)OC)O)C(C2)C=C.[Br-]

InChI

InChI=1S/C27H39N2O2.BrH/c1-4-6-7-8-9-15-29-16-13-21(20(5-2)19-29)17-26(29)27(30)23-12-14-28-25-11-10-22(31-3)18-24(23)25;/h5,10-12,14,18,20-21,26-27,30H,2,4,6-9,13,15-17,19H2,1,3H3;1H/q+1;/p-1