1-[(2R,4S,5R)-2-[(S)-(6-methoxy-1-oxidanidyl-quinolin-1-ium-4-yl)-oxidanyl-methyl]-1-azabicyclo[2.2.2]octan-5-yl]ethane-1,2-diol

Systemtic Name: 1-[(2R,4S,5R)-2-[(S)-(6-methoxy-1-oxidanidyl-quinolin-1-ium-4-yl)-oxidanyl-methyl]-1-azabicyclo[2.2.2]octan-5-yl]ethane-1,2-diol Openeye Name: 1-[(3R,4S,6R)-6-[(S)-hydroxy-(6-methoxy-1-oxido-quinolin-1-ium-4-yl)methyl]quinuclidin-3-yl]ethane-1,2-diol CAS Name: 1-[(2R,4S,5R)-2-[(S)-hydroxy-(6-methoxy-1-oxido-4-quinolin-1-iumyl)methyl]-1-azabicyclo[2.2.2]octan-5-yl]ethane-1,2-diol IUPAC Name: 1-[(2R,4S,5R)-2-[(S)-hydroxy-(6-methoxy-1-oxidoquinolin-1-ium-4-yl)methyl]-1-azabicyclo[2.2.2]octan-5-yl]ethane-1,2-diol Traditional Name: 1-[(3R,4S,6R)-6-[(S)-hydroxy-(6-methoxy-1-oxido-quinolin-1-ium-4-yl)methyl]quinuclidin-3-yl]ethane-1,2-diol Formula: C20H26N2O5 MolecularWeight: 374.43084

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C[N+](=C2C=C1)[O-])C(C3CC4CCN3CC4C(CO)O)O

Isomeric SMILES

COC1=CC2=C(C=C[N+](=C2C=C1)[O-])[C@@H]([C@H]3C[C@@H]4CCN3C[C@@H]4C(CO)O)O

InChI

InChI=1S/C20H26N2O5/c1-27-13-2-3-17-15(9-13)14(5-7-22(17)26)20(25)18-8-12-4-6-21(18)10-16(12)19(24)11-23/h2-3,5,7,9,12,16,18-20,23-25H,4,6,8,10-11H2,1H3/t12-,16-,18+,19?,20-/m0/s1