methyl (2S,4R)-4-(phenylcarbonyloxy)pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4R)-4-(phenylcarbonyloxy)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4R)-4-benzoyloxypyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4R)-4-benzoyloxy-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4R)-4-benzoyloxypyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4R)-4-benzoyloxypyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C13H16NO4+ MolecularWeight: 250.27044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO4/c1-17-13(16)11-7-10(8-14-11)18-12(15)9-5-3-2-4-6-9/h2-6,10-11,14H,7-8H2,1H3/p+1/t10-,11+/m1/s1