(R)-[(2S,4S,5R)-5-ethenyl-1-methyl-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanolate

Systemtic Name: (R)-[(2S,4S,5R)-5-ethenyl-1-methyl-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanolate Openeye Name: (R)-(6-methoxy-4-quinolyl)-[(2S,4S,5R)-1-methyl-5-vinyl-quinuclidin-1-ium-2-yl]methanolate CAS Name: (R)-[(2S,4S,5R)-5-ethenyl-1-methyl-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxy-4-quinolinyl)methanolate IUPAC Name: (R)-[(2S,4S,5R)-5-ethenyl-1-methyl-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanolate Traditional Name: (R)-(6-methoxy-4-quinolyl)-[(2S,4S,5R)-1-methyl-5-vinyl-quinuclidin-1-ium-2-yl]methanolate Formula: C21H26N2O2 MolecularWeight: 338.44334

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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

Isomeric SMILES

C[N+]12CC[C@@H](C[C@H]1[C@@H](C3=C4C=C(C=CC4=NC=C3)OC)[O-])[C@H](C2)C=C

InChI

InChI=1S/C21H26N2O2/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/h4-7,9,12,14-15,20-21H,1,8,10-11,13H2,2-3H3/t14-,15-,20-,21+,23?/m0/s1