methyl (2R,4S)-4-phenoxypyrrolidin-1-ium-2-carboxylate; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: methyl (2R,4S)-4-phenoxypyrrolidin-1-ium-2-carboxylate; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: methyl (2R,4S)-4-phenoxypyrrolidin-1-ium-2-carboxylate; 2,2,2-trifluoroacetate CAS Name: (2R,4S)-4-phenoxy-2-pyrrolidin-1-iumcarboxylic acid methyl ester; 2,2,2-trifluoroacetate IUPAC Name: methyl (2R,4S)-4-phenoxypyrrolidin-1-ium-2-carboxylate; 2,2,2-trifluoroacetate Traditional Name: (2R,4S)-4-phenoxypyrrolidin-1-ium-2-carboxylic acid methyl ester; 2,2,2-trifluoroacetate Formula: C14H16F3NO5 MolecularWeight: 335.27575

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO3.C2HF3O2/c1-15-12(14)11-7-10(8-13-11)16-9-5-3-2-4-6-9;3-2(4,5)1(6)7/h2-6,10-11,13H,7-8H2,1H3;(H,6,7)/t10-,11+;/m0./s1