methyl (2S,4S)-4-phenoxypyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4S)-4-phenoxypyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S)-4-phenoxypyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S)-4-phenoxy-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-4-phenoxypyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S)-4-phenoxypyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C12H16NO3+ MolecularWeight: 222.26034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO3/c1-15-12(14)11-7-10(8-13-11)16-9-5-3-2-4-6-9/h2-6,10-11,13H,7-8H2,1H3/p+1/t10-,11-/m0/s1