• 
  [Synonyms]
  Retronecine-7,9-piperonylate
  1,3-Benzodioxole-5-carboxylic acid, 7-(((1,3-benzodioxol-5-ylcarbonyl)oxy)methyl)-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-yl ester, (1R-trans)-
  39818-13-8
  
  [Structure]
  
  
  
  [ Properties Computed from Structure]
  

  Molecular Weight	451.42544 [g/mol]
  Molecular Formula	C24H21NO8
  XLogP	3.3
  H-Bond Donor	0
  H-Bond Acceptor	9
  Rotatable Bond Count	7
  Exact Mass	451.126717
  MonoIsotopic Mass	451.126717
  Topological Polar Surface Area	92.8
  Heavy Atom Count	33
  Formal Charge	0
  Complexity	801
  Isotope Atom Count	0
  Defined Atom StereoCenter Count	2
  Undefined Atom StereoCenter Count	0
  Defined Bond StereoCenter Count	0
  Undefined Bond StereoCenter Count	0
  Covalently-Bonded Unit Count	1

  
  [ Descriptors Computed from Structure]
  IUPAC Name: [(1R,8R)-7-(1,3-benzodioxole-5-carbonyloxymethyl)-2,3,5,
  8-tetrahydro-1H-pyrrolizin-1-yl] 1,3-benzodioxole-5-carboxylate
  Canonical SMILES: C1CN2CC=C(C2C1OC(=O)C3=CC4=C(C=C3)OCO4)COC(=O)C5=CC6=C(C=C5)OCO6
  Isomeric SMILES: C1CN2CC=C([C@@H]2[C@@H]1OC(=O)C3=CC4=C(C=C3)OCO4)COC(=O)C5=CC6=C(C=C5)
  OCO6
  InChI: InChI=1/C24H21NO8/c26-23(14-1-3-17-20(9-14)31-12-29-17)28-11-16-5-7-25-
  8-6-19(22(16)25)33-24(27)15-2-4-18-21(10-15)32-13-30-18/h1-5,9-10,19,
  22H,6-8,11-13H2/t19-,22-/m1/s1