2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-4-propyl-isoquinolin-1-one chloride

Systemtic Name: 2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-4-propyl-isoquinolin-1-one chloride Openeye Name: 4-propyl-2-[(3S)-quinuclidin-3-yl]isoquinolin-1-one chloride CAS Name: 2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-4-propyl-1-isoquinolinone chloride IUPAC Name: 2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-4-propylisoquinolin-1-one chloride Traditional Name: 4-propyl-2-[(3S)-quinuclidin-3-yl]isocarbostyril chloride Formula: C19H24ClN2O- MolecularWeight: 331.85966

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CN(C(=O)C2=CC=CC=C21)C3CN4CCC3CC4.[Cl-]

Isomeric SMILES

CCCC1=CN(C(=O)C2=CC=CC=C21)[C@@H]3CN4CCC3CC4.[Cl-]

InChI

InChI=1S/C19H24N2O.ClH/c1-2-5-15-12-21(18-13-20-10-8-14(18)9-11-20)19(22)17-7-4-3-6-16(15)17;/h3-4,6-7,12,14,18H,2,5,8-11,13H2,1H3;1H/p-1/t18-;/m1./s1