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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1C=CN(C2=O)C3CN4CCC3CC4.Cl

Isomeric SMILES

CCC1=CC=CC2=C1C=CN(C2=O)[C@@H]3CN4CCC3CC4.Cl

InChI

InChI=1S/C18H22N2O.ClH/c1-2-13-4-3-5-16-15(13)8-11-20(18(16)21)17-12-19-9-6-14(17)7-10-19;/h3-5,8,11,14,17H,2,6-7,9-10,12H2,1H3;1H/t17-;/m1./s1