2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-methoxy-isoquinolin-1-one hydrochloride

Systemtic Name: 2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-methoxy-isoquinolin-1-one hydrochloride Openeye Name: 5-methoxy-2-[(3S)-quinuclidin-3-yl]isoquinolin-1-one hydrochloride CAS Name: 2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-methoxy-1-isoquinolinone hydrochloride IUPAC Name: 2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-methoxyisoquinolin-1-one hydrochloride Traditional Name: 5-methoxy-2-[(3S)-quinuclidin-3-yl]isocarbostyril hydrochloride Formula: C17H21ClN2O2 MolecularWeight: 320.81384

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C=CN(C2=O)C3CN4CCC3CC4.Cl

Isomeric SMILES

COC1=CC=CC2=C1C=CN(C2=O)[C@@H]3CN4CCC3CC4.Cl

InChI

InChI=1S/C17H20N2O2.ClH/c1-21-16-4-2-3-14-13(16)7-10-19(17(14)20)15-11-18-8-5-12(15)6-9-18;/h2-4,7,10,12,15H,5-6,8-9,11H2,1H3;1H/t15-;/m1./s1