• 
  [Synonyms]
  SN 6999
  LS-142408
  Quinolinium, 1-methyl-4-(p-((p-((1-methylpyridinium-4-yl)amino)phenyl)carbamoyl)anilino)-, dibromide
  68772-09-8
  88837-63-2
  
  [Structure]
  
  
  
  [ Properties Computed from Structure]
  

  Molecular Weight	621.36558 [g/mol]
  Molecular Formula	C29H27Br2N5O
  H-Bond Donor	3
  H-Bond Acceptor	5
  Rotatable Bond Count	6
  Tautomer Count	7
  Exact Mass	621.056189
  MonoIsotopic Mass	619.058236
  Topological Polar Surface Area	60.9
  Heavy Atom Count	37
  Formal Charge	0
  Complexity	664
  Isotope Atom Count	0
  Defined Atom StereoCenter Count	0
  Undefined Atom StereoCenter Count	0
  Defined Bond StereoCenter Count	0
  Undefined Bond StereoCenter Count	0
  Covalently-Bonded Unit Count	3

  
  [ Descriptors Computed from Structure]
  IUPAC Name: N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]-4-[(1-methylquinolin-1-
  ium-4-yl)amino]benzamide dibromide
  Canonical SMILES: C[N+]1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)NC4=CC=[N+](C5=CC=CC=
  C45)C.[Br-].[Br-]
  InChI: InChI=1/C29H25N5O.2BrH/c1-33-18-15-25(16-19-33)30-22-11-13-24(14-12-22)
  32-29(35)21-7-9-23(10-8-21)31-27-17-20-34(2)28-6-4-3-5-26(27)28;;/h3-
  20H,1-2H3,(H,32,35);2*1H/fC29H27N5O.2Br/h30-32H;2*1h/q+2;2*-1