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

Systemtic Name: methyl (2S,4S)-4-acetamido-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S)-4-acetamido-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S)-4-acetamido-1-[[4-(trifluoromethyl)phenyl]methyl]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-4-acetamido-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S)-4-acetamido-1-[4-(trifluoromethyl)benzyl]pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C16H20F3N2O3+ MolecularWeight: 345.33681

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1CC([NH+](C1)CC2=CC=C(C=C2)C(F)(F)F)C(=O)OC

Isomeric SMILES

CC(=O)N[C@H]1C[C@H]([NH+](C1)CC2=CC=C(C=C2)C(F)(F)F)C(=O)OC

InChI

InChI=1S/C16H19F3N2O3/c1-10(22)20-13-7-14(15(23)24-2)21(9-13)8-11-3-5-12(6-4-11)16(17,18)19/h3-6,13-14H,7-9H2,1-2H3,(H,20,22)/p+1/t13-,14-/m0/s1