methyl (2S,4S)-4-[4-(trifluoromethyloxy)phenoxy]pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4S)-4-[4-(trifluoromethyloxy)phenoxy]pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S)-4-[4-(trifluoromethoxy)phenoxy]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S)-4-[4-(trifluoromethoxy)phenoxy]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-4-[4-(trifluoromethoxy)phenoxy]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S)-4-[4-(trifluoromethoxy)phenoxy]pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C13H15F3NO4+ MolecularWeight: 306.25771

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(C[NH2+]1)OC2=CC=C(C=C2)OC(F)(F)F

Isomeric SMILES

COC(=O)[C@@H]1C[C@@H](C[NH2+]1)OC2=CC=C(C=C2)OC(F)(F)F

InChI

InChI=1S/C13H14F3NO4/c1-19-12(18)11-6-10(7-17-11)20-8-2-4-9(5-3-8)21-13(14,15)16/h2-5,10-11,17H,6-7H2,1H3/p+1/t10-,11-/m0/s1