2-(1-azabicyclo[2.2.2]octan-3-yl)-4,5-dimethyl-isoquinolin-1-one hydrochloride

Systemtic Name: 2-(1-azabicyclo[2.2.2]octan-3-yl)-4,5-dimethyl-isoquinolin-1-one hydrochloride Openeye Name: 4,5-dimethyl-2-quinuclidin-3-yl-isoquinolin-1-one hydrochloride CAS Name: 2-(1-azabicyclo[2.2.2]octan-3-yl)-4,5-dimethyl-1-isoquinolinone hydrochloride IUPAC Name: 2-(1-azabicyclo[2.2.2]octan-3-yl)-4,5-dimethylisoquinolin-1-one hydrochloride Traditional Name: 4,5-dimethyl-2-quinuclidin-3-yl-isocarbostyril hydrochloride Formula: C18H23ClN2O MolecularWeight: 318.84102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1C(=CN(C2=O)C3CN4CCC3CC4)C.Cl

Isomeric SMILES

CC1=CC=CC2=C1C(=CN(C2=O)C3CN4CCC3CC4)C.Cl

InChI

InChI=1S/C18H22N2O.ClH/c1-12-4-3-5-15-17(12)13(2)10-20(18(15)21)16-11-19-8-6-14(16)7-9-19;/h3-5,10,14,16H,6-9,11H2,1-2H3;1H