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

Systemtic Name: 2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-4-phenyl-isoquinolin-1-one hydrochloride Openeye Name: 4-phenyl-2-[(3S)-quinuclidin-3-yl]isoquinolin-1-one hydrochloride CAS Name: 2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-4-phenyl-1-isoquinolinone hydrochloride IUPAC Name: 2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-4-phenylisoquinolin-1-one hydrochloride Traditional Name: 4-phenyl-2-[(3S)-quinuclidin-3-yl]isocarbostyril hydrochloride Formula: C22H23ClN2O MolecularWeight: 366.88382

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)N3C=C(C4=CC=CC=C4C3=O)C5=CC=CC=C5.Cl

Isomeric SMILES

C1CN2CCC1[C@@H](C2)N3C=C(C4=CC=CC=C4C3=O)C5=CC=CC=C5.Cl

InChI

InChI=1S/C22H22N2O.ClH/c25-22-19-9-5-4-8-18(19)20(16-6-2-1-3-7-16)14-24(22)21-15-23-12-10-17(21)11-13-23;/h1-9,14,17,21H,10-13,15H2;1H/t21-;/m1./s1