bis(2-chloroethyl)amino-(3-fluorophenyl)azanium; ethanedioate

Systemtic Name: bis(2-chloroethyl)amino-(3-fluorophenyl)azanium; ethanedioate Openeye Name: bis(2-chloroethyl)amino-(3-fluorophenyl)ammonium; oxalate CAS Name: bis(2-chloroethyl)amino-(3-fluorophenyl)ammonium; oxalate IUPAC Name: bis(2-chloroethyl)amino-(3-fluorophenyl)azanium; oxalate Traditional Name: bis(2-chloroethyl)amino-(3-fluorophenyl)ammonium; oxalate Formula: C22H28Cl4F2N4O4 MolecularWeight: 592.290926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)F)[NH2+]N(CCCl)CCCl.C1=CC(=CC(=C1)F)[NH2+]N(CCCl)CCCl.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

C1=CC(=CC(=C1)F)[NH2+]N(CCCl)CCCl.C1=CC(=CC(=C1)F)[NH2+]N(CCCl)CCCl.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/2C10H13Cl2FN2.C2H2O4/c2*11-4-6-15(7-5-12)14-10-3-1-2-9(13)8-10;3-1(4)2(5)6/h2*1-3,8,14H,4-7H2;(H,3,4)(H,5,6)