methyl (2S,4S)-4-acetamido-1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4S)-4-acetamido-1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S)-4-acetamido-1-[(2-chloro-6-fluoro-phenyl)methyl]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S)-4-acetamido-1-[(2-chloro-6-fluorophenyl)methyl]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-4-acetamido-1-[(2-chloro-6-fluorophenyl)methyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S)-4-acetamido-1-(2-chloro-6-fluoro-benzyl)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C15H19ClFN2O3+ MolecularWeight: 329.774363

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1CC([NH+](C1)CC2=C(C=CC=C2Cl)F)C(=O)OC

Isomeric SMILES

CC(=O)N[C@H]1C[C@H]([NH+](C1)CC2=C(C=CC=C2Cl)F)C(=O)OC

InChI

InChI=1S/C15H18ClFN2O3/c1-9(20)18-10-6-14(15(21)22-2)19(7-10)8-11-12(16)4-3-5-13(11)17/h3-5,10,14H,6-8H2,1-2H3,(H,18,20)/p+1/t10-,14-/m0/s1