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

Systemtic Name: methyl (2S,4S)-4-[2-(trifluoromethyl)phenoxy]pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S)-4-[2-(trifluoromethyl)phenoxy]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S)-4-[2-(trifluoromethyl)phenoxy]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-4-[2-(trifluoromethyl)phenoxy]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S)-4-[2-(trifluoromethyl)phenoxy]pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C13H15F3NO3+ MolecularWeight: 290.25831

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(C[NH2+]1)OC2=CC=CC=C2C(F)(F)F

Isomeric SMILES

COC(=O)[C@@H]1C[C@@H](C[NH2+]1)OC2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C13H14F3NO3/c1-19-12(18)10-6-8(7-17-10)20-11-5-3-2-4-9(11)13(14,15)16/h2-5,8,10,17H,6-7H2,1H3/p+1/t8-,10-/m0/s1