• 
  [Synonyms]
  LS-142282
  19056-04-3
  Quinolinium, 1-butyl-6-(p-(p-((1-butylquinolinium-6-yl)carbamoyl)benzamido)benzamido)-, di-p-toluenesulfonate
  
  [Structure]
  
  
  
  [ Properties Computed from Structure]
  

  Molecular Weight	994.1833 [g/mol]
  Molecular Formula	C55H55N5O9S2
  H-Bond Donor	3
  H-Bond Acceptor	9
  Rotatable Bond Count	12
  Tautomer Count	14
  Exact Mass	993.34412
  MonoIsotopic Mass	993.34412
  Topological Polar Surface Area	210
  Heavy Atom Count	71
  Formal Charge	0
  Complexity	1260
  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-(1-butylquinolin-1-ium-6-yl)-N'-[4-[(1-butylquinolin-1-ium-6-yl)
  carbamoyl]phenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonate;
  4-methylbenzenesulfonate
  Canonical SMILES: CCCC[N+]1=CC=CC2=C1C=CC(=C2)NC(=O)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)C(=O)
  NC5=CC6=C(C=C5)[N+](=CC=C6)CCCC.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=
  C1)S(=O)(=O)[O-]
  InChI: InChI=1/C41H39N5O3.2C7H8O3S/c1-3-5-23-45-25-7-9-32-27-35(19-21-37(32)45)
  43-40(48)30-13-11-29(12-14-30)39(47)42-34-17-15-31(16-18-34)41(49)44-36-
  20-22-38-33(28-36)10-8-26-46(38)24-6-4-2;2*1-6-2-4-7(5-3-6)11(8,
  9)10/h7-22,25-28H,3-6,23-24H2,1-2H3,(H-2,42,43,44,47,48,49);2*2-5H,1H3,
  (H,8,9,10)/fC41H41N5O3.2C7H7O3S/h42-44H;;/q+2;2*-1