• 
  [Synonyms]
  LS-46618
  1-Butanone, 4-(2-azabicyclo(2.2.2)oct-5-en-2-yl)-1-(4-fluorophenyl)-, hydrochloride
  4-(2-Azabicyclo(2.2.2)oct-5-en-2-yl)-1-(4-fluorophenyl)-1-butanone hydrochloride
  35806-08-7
  
  [Structure]
  
  
  
  [ Properties Computed from Structure]
  

  Molecular Weight	309.806143 [g/mol]
  Molecular Formula	C17H21ClFNO
  H-Bond Donor	1
  H-Bond Acceptor	3
  Rotatable Bond Count	5
  Tautomer Count	2
  Exact Mass	309.12957
  MonoIsotopic Mass	309.12957
  Topological Polar Surface Area	20.3
  Heavy Atom Count	21
  Formal Charge	0
  Complexity	373
  Isotope Atom Count	0
  Defined Atom StereoCenter Count	0
  Undefined Atom StereoCenter Count	2
  Defined Bond StereoCenter Count	0
  Undefined Bond StereoCenter Count	0
  Covalently-Bonded Unit Count	2

  
  [ Descriptors Computed from Structure]
  IUPAC Name: 4-(7-azabicyclo[2.2.2]oct-2-en-7-yl)-1-(4-fluorophenyl)butan-1-one
  hydrochloride
  Canonical SMILES: C1CC2C=CC1CN2CCCC(=O)C3=CC=C(C=C3)F.Cl
  InChI: InChI=1/C17H20FNO.ClH/c18-15-7-5-14(6-8-15)17(20)2-1-11-19-12-13-3-9-16
  (19)10-4-13;/h3,5-9,13,16H,1-2,4,10-12H2;1H