methyl (2S,4S)-4-[3,5-bis(trifluoromethyl)phenoxy]pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4S)-4-[3,5-bis(trifluoromethyl)phenoxy]pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S)-4-[3,5-bis(trifluoromethyl)phenoxy]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S)-4-[3,5-bis(trifluoromethyl)phenoxy]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-4-[3,5-bis(trifluoromethyl)phenoxy]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S)-4-[3,5-bis(trifluoromethyl)phenoxy]pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C14H14F6NO3+ MolecularWeight: 358.256279

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13F6NO3/c1-23-12(22)11-5-10(6-21-11)24-9-3-7(13(15,16)17)2-8(4-9)14(18,19)20/h2-4,10-11,21H,5-6H2,1H3/p+1/t10-,11-/m0/s1