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

  Molecular Weight	461.46508 [g/mol]
  Molecular Formula	C22H27N3O8
  H-Bond Donor	6
  H-Bond Acceptor	10
  Rotatable Bond Count	1
  Tautomer Count	98
  Exact Mass	461.179815
  MonoIsotopic Mass	461.179815
  Topological Polar Surface Area	186
  Heavy Atom Count	33
  Formal Charge	0
  Complexity	971
  Isotope Atom Count	0
  Defined Atom StereoCenter Count	5
  Undefined Atom StereoCenter Count	0
  Defined Bond StereoCenter Count	0
  Undefined Bond StereoCenter Count	1
  Covalently-Bonded Unit Count	2

  
  [ Descriptors Computed from Structure]
  IUPAC Name: azanium
  [(4R,4aS,5aS,6S,12aS)-4-dimethylamino-6,10,11,
  12a-tetrahydroxy-6-methyl-1,3,12-trioxo-4,4a,5,
  5a-tetrahydrotetracen-2-ylidene]-aminomethanolate
  Canonical SMILES: CC1(C2CC3C(C(=O)C(=C(N)[O-])C(=O)C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)N(C)C)O.
  [NH4+]
  Isomeric SMILES: C[C@@]1([C@H]2C[C@H]3[C@H](C(=O)C(=C(N)[O-])C(=O)[C@]3(C(=O)C2=C(C4=C1C=
  CC=C4O)O)O)N(C)C)O.[NH4+]
  InChI: InChI=1/C22H24N2O8.H3N/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15
  (24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28;/h4-6,9-10,15,25-26,
  30-32H,7,23H2,1-3H3;1H3/t9-,10+,15-,21+,
  22+;/m0./s1/fC22H23N2O8.H4N/h30h;1H/q-1;+1