Fludazonium Chloride

Product name:Fludazonium Chloride 
CAS No.:53597-28-7
Synonyms:Fludazonium chloride
Fludazonium chloride (USAN)
Fludazonium chloride [USAN:INN]
NSC351149
D04204
R 23,633
1-[2,4-Dichloro-.beta.-[(2,4-dichlorobenzyl)oxy]phenethyl]-3-(p-fluorophenacyl)imidazolium chloride
1H-Imidazolium, 1-(2-(2,4-dichlorophenyl)-2-((2,4-dichlorophenyl)methoxy)ethyl)-3-(2-(4-fluorophenyl)-2-oxoethyl)-,chloride
1H-Imidazolium, 1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-3-[2-(4-fluorophenyl)-2-oxoethyl]-, chloride
Properties Computed from Structure:
Molecular Weight 588.712603 [g/mol] 
Molecular Formula C26H20Cl5FN2O2 
H-Bond Donor 0 
H-Bond Acceptor 5 
Rotatable Bond Count 9 
Tautomer Count 2 
Exact Mass 587.992195 
MonoIsotopic Mass 585.995145 
Topological Polar Surface Area 35.1 
Heavy Atom Count 36 
Formal Charge 0 
Complexity 684 
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: 2-[3-[2-(2,4-dichlorophenyl)-2-[(2,
4-dichlorophenyl)methoxy]ethyl]imidazol-1-ium-1-yl]-1-(4-fluorophenyl)
ethanone chloride
Canonical SMILES: C1=CC(=CC=C1C(=O)C[N+]2=CN(C=C2)CC(C3=C(C=C(C=C3)Cl)Cl)OCC4=C(C=C(C=C4)
Cl)Cl)F.[Cl-]
InChI: InChI=1/C26H20Cl4FN2O2.ClH/c27-19-4-1-18(23(29)11-19)15-35-26(22-8-5-20
(28)12-24(22)30)14-33-10-9-32(16-33)13-25(34)17-2-6-21(31)7-3-17;/h1-12,
16,26H,13-15H2;1H/q+1;/p-1/fC26H20Cl4FN2O2.Cl/h;1h/qm;-1