methyl (2R,4R)-4-[2,4-bis(chloranyl)phenoxy]pyrrolidin-1-ium-2-carboxylate; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: methyl (2R,4R)-4-[2,4-bis(chloranyl)phenoxy]pyrrolidin-1-ium-2-carboxylate; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: methyl (2R,4R)-4-(2,4-dichlorophenoxy)pyrrolidin-1-ium-2-carboxylate; 2,2,2-trifluoroacetate CAS Name: (2R,4R)-4-(2,4-dichlorophenoxy)-2-pyrrolidin-1-iumcarboxylic acid methyl ester; 2,2,2-trifluoroacetate IUPAC Name: methyl (2R,4R)-4-(2,4-dichlorophenoxy)pyrrolidin-1-ium-2-carboxylate; 2,2,2-trifluoroacetate Traditional Name: (2R,4R)-4-(2,4-dichlorophenoxy)pyrrolidin-1-ium-2-carboxylic acid methyl ester; 2,2,2-trifluoroacetate Formula: C14H14Cl2F3NO5 MolecularWeight: 404.16587

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(C[NH2+]1)OC2=C(C=C(C=C2)Cl)Cl.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

COC(=O)[C@H]1C[C@H](C[NH2+]1)OC2=C(C=C(C=C2)Cl)Cl.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C12H13Cl2NO3.C2HF3O2/c1-17-12(16)10-5-8(6-15-10)18-11-3-2-7(13)4-9(11)14;3-2(4,5)1(6)7/h2-4,8,10,15H,5-6H2,1H3;(H,6,7)/t8-,10-;/m1./s1