• 
  [Synonyms]
  LS-133581
  6-Acetyl-1-(3,4-dimethoxybenzyl)-1,2,3,4-tetrahydro-beta-carboline hydrochloride
  9H-Pyrido(3,4-b)indole, 1,2,3,4-tetrahydro-6-acetyl-1-(3,4-dimethoxybenzyl)-, hydrochloride
  14254-86-5
  
  [Structure]
  
  
  
  [ Properties Computed from Structure]
  

  Molecular Weight	400.8985 [g/mol]
  Molecular Formula	C22H25ClN2O3
  H-Bond Donor	3
  H-Bond Acceptor	5
  Rotatable Bond Count	5
  Tautomer Count	9
  Exact Mass	400.15537
  MonoIsotopic Mass	400.15537
  Topological Polar Surface Area	63.4
  Heavy Atom Count	28
  Formal Charge	0
  Complexity	528
  Isotope Atom Count	0
  Defined Atom StereoCenter Count	0
  Undefined Atom StereoCenter Count	1
  Defined Bond StereoCenter Count	0
  Undefined Bond StereoCenter Count	0
  Covalently-Bonded Unit Count	2

  
  [ Descriptors Computed from Structure]
  IUPAC Name: 1-[1-[(3,4-dimethoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,
  4-b]indol-6-yl]ethanone hydrochloride
  Canonical SMILES: CC(=O)C1=CC2=C(C=C1)NC3=C2CCNC3CC4=CC(=C(C=C4)OC)OC.Cl
  InChI: InChI=1/C22H24N2O3.ClH/c1-13(25)15-5-6-18-17(12-15)16-8-9-23-19(22(16)
  24-18)10-14-4-7-20(26-2)21(11-14)27-3;/h4-7,11-12,19,23-24H,8-10H2,
  1-3H3;1H