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

Systemtic Name: (5-ethenyl-1-methyl-1-azoniabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol hydroxide Openeye Name: (6-methoxy-4-quinolyl)-(1-methyl-5-vinyl-quinuclidin-1-ium-2-yl)methanol hydroxide CAS Name: (5-ethenyl-1-methyl-1-azoniabicyclo[2.2.2]octan-2-yl)-(6-methoxy-4-quinolinyl)methanol hydroxide IUPAC Name: (5-ethenyl-1-methyl-1-azoniabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol hydroxide Traditional Name: (6-methoxy-4-quinolyl)-(1-methyl-5-vinyl-quinuclidin-1-ium-2-yl)methanol hydroxide Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N2O2.H2O/c1-4-14-13-23(2)10-8-15(14)11-20(23)21(24)17-7-9-22-19-6-5-16(25-3)12-18(17)19;/h4-7,9,12,14-15,20-21,24H,1,8,10-11,13H2,2-3H3;1H2/q+1;/p-1