• 
  [Synonyms]
  
  [Structure]
  
  
  
  [ Properties Computed from Structure]
  

  Molecular Weight	556.14082 [g/mol]
  Molecular Formula	C23H28ClN4O4S3+
  H-Bond Donor	2
  H-Bond Acceptor	4
  Rotatable Bond Count	7
  Tautomer Count	2
  Exact Mass	555.09612
  MonoIsotopic Mass	555.09612
  Topological Polar Surface Area	90
  Heavy Atom Count	35
  Formal Charge	1
  Complexity	920
  Isotope Atom Count	0
  Defined Atom StereoCenter Count	1
  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: (7R)-7-[[2-(3-chlorophenyl)acetyl]amino]-3-[(4,
  4-dimethylpiperazin-4-ium-1-carbothioyl)sulfanylmethyl]-8-oxo-5-thia-1-
  azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  Canonical SMILES: C[N+]1(CCN(CC1)C(=S)SCC2=C(N3C(C(C3=O)NC(=O)CC4=CC(=CC=C4)Cl)SC2)C(=O)O)
  C
  Isomeric SMILES: C[N+]1(CCN(CC1)C(=S)SCC2=C(N3C([C@@H](C3=O)NC(=O)CC4=CC(=CC=C4)Cl)SC2)C
  (=O)O)C
  InChI: InChI=1/C23H27ClN4O4S3/c1-28(2)8-6-26(7-9-28)23(33)35-13-15-12-34-21-18
  (20(30)27(21)19(15)22(31)32)25-17(29)11-14-4-3-5-16(24)10-14/h3-5,10,18,
  21H,6-9,11-13H2,1-2H3,(H-,25,29,31,32)/p+1/t18-,
  21?/m1/s1/fC23H28ClN4O4S3/h25,31H/q+1