methyl (2R)-1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2R)-1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2R)-1-[(2-chloro-6-fluoro-phenyl)methyl]pyrrolidin-1-ium-2-carboxylate CAS Name: (2R)-1-[(2-chloro-6-fluorophenyl)methyl]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2R)-1-[(2-chloro-6-fluorophenyl)methyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2R)-1-(2-chloro-6-fluoro-benzyl)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C13H16ClFNO2+ MolecularWeight: 272.723043

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC[NH+]1CC2=C(C=CC=C2Cl)F

Isomeric SMILES

COC(=O)[C@H]1CCC[NH+]1CC2=C(C=CC=C2Cl)F

InChI

InChI=1S/C13H15ClFNO2/c1-18-13(17)12-6-3-7-16(12)8-9-10(14)4-2-5-11(9)15/h2,4-5,12H,3,6-8H2,1H3/p+1/t12-/m1/s1