3-[(1-azabicyclo[2.2.2]octan-3-ylamino)methyl]-1-(2-methylpropyl)-7-methylsulfanyl-quinolin-2-one

Systemtic Name: 3-[(1-azabicyclo[2.2.2]octan-3-ylamino)methyl]-1-(2-methylpropyl)-7-methylsulfanyl-quinolin-2-one Openeye Name: 1-isobutyl-7-methylsulfanyl-3-[(quinuclidin-3-ylamino)methyl]quinolin-2-one CAS Name: 3-[(1-azabicyclo[2.2.2]octan-3-ylamino)methyl]-1-(2-methylpropyl)-7-(methylthio)-2-quinolinone IUPAC Name: 3-[(1-azabicyclo[2.2.2]octan-3-ylamino)methyl]-1-(2-methylpropyl)-7-methylsulfanylquinolin-2-one Traditional Name: 1-isobutyl-7-(methylthio)-3-[(quinuclidin-3-ylamino)methyl]carbostyril Formula: C22H31N3OS MolecularWeight: 385.56604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C=CC(=C2)SC)C=C(C1=O)CNC3CN4CCC3CC4

Isomeric SMILES

CC(C)CN1C2=C(C=CC(=C2)SC)C=C(C1=O)CNC3CN4CCC3CC4

InChI

InChI=1S/C22H31N3OS/c1-15(2)13-25-21-11-19(27-3)5-4-17(21)10-18(22(25)26)12-23-20-14-24-8-6-16(20)7-9-24/h4-5,10-11,15-16,20,23H,6-9,12-14H2,1-3H3