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

Systemtic Name: 2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-4-propyl-isoquinolin-1-one hydrochloride Openeye Name: 4-propyl-2-[(3S)-quinuclidin-3-yl]isoquinolin-1-one hydrochloride CAS Name: 2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-4-propyl-1-isoquinolinone hydrochloride IUPAC Name: 2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-4-propylisoquinolin-1-one hydrochloride Traditional Name: 4-propyl-2-[(3S)-quinuclidin-3-yl]isocarbostyril hydrochloride Formula: C19H25ClN2O MolecularWeight: 332.8676

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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/t18-;/m1./s1