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

Systemtic Name: 2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]isoquinolin-1-one Openeye Name: 2-[(3S)-quinuclidin-3-yl]isoquinolin-1-one CAS Name: 2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1-isoquinolinone IUPAC Name: 2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]isoquinolin-1-one Traditional Name: 2-[(3S)-quinuclidin-3-yl]isocarbostyril Formula: C16H18N2O MolecularWeight: 254.32692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)N3C=CC4=CC=CC=C4C3=O

Isomeric SMILES

C1CN2CCC1[C@@H](C2)N3C=CC4=CC=CC=C4C3=O

InChI

InChI=1S/C16H18N2O/c19-16-14-4-2-1-3-12(14)7-10-18(16)15-11-17-8-5-13(15)6-9-17/h1-4,7,10,13,15H,5-6,8-9,11H2/t15-/m1/s1