bis[2-[2-(4-chloranylphenoxy)ethanoyloxy]ethyl]-methyl-azanium; methanesulfonate

Systemtic Name: bis[2-[2-(4-chloranylphenoxy)ethanoyloxy]ethyl]-methyl-azanium; methanesulfonate Openeye Name: bis[2-[2-(4-chlorophenoxy)acetyl]oxyethyl]-methyl-ammonium; methanesulfonate CAS Name: bis[2-[2-(4-chlorophenoxy)-1-oxoethoxy]ethyl]-methylammonium; methanesulfonate IUPAC Name: bis[2-[2-(4-chlorophenoxy)acetyl]oxyethyl]-methylazanium; methanesulfonate Traditional Name: bis[2-[2-(4-chlorophenoxy)acetyl]oxyethyl]-methyl-ammonium mesylate Formula: C22H27Cl2NO9S MolecularWeight: 552.42208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCOC(=O)COC1=CC=C(C=C1)Cl)CCOC(=O)COC2=CC=C(C=C2)Cl.CS(=O)(=O)[O-]

Isomeric SMILES

C[NH+](CCOC(=O)COC1=CC=C(C=C1)Cl)CCOC(=O)COC2=CC=C(C=C2)Cl.CS(=O)(=O)[O-]

InChI

InChI=1S/C21H23Cl2NO6.CH4O3S/c1-24(10-12-27-20(25)14-29-18-6-2-16(22)3-7-18)11-13-28-21(26)15-30-19-8-4-17(23)5-9-19;1-5(2,3)4/h2-9H,10-15H2,1H3;1H3,(H,2,3,4)