(2R)-1-[(2S)-2-oxidanyl-3-phenoxy-propyl]pyrrolidin-1-ium-2-carboxylate

Systemtic Name: (2R)-1-[(2S)-2-oxidanyl-3-phenoxy-propyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: (2R)-1-[(2S)-2-hydroxy-3-phenoxy-propyl]pyrrolidin-1-ium-2-carboxylate CAS Name: (2R)-1-[(2S)-2-hydroxy-3-phenoxypropyl]-2-pyrrolidin-1-iumcarboxylate IUPAC Name: (2R)-1-[(2S)-2-hydroxy-3-phenoxypropyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2R)-1-[(2S)-2-hydroxy-3-phenoxy-propyl]pyrrolidin-1-ium-2-carboxylate Formula: C14H19NO4 MolecularWeight: 265.30496

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC(COC2=CC=CC=C2)O)C(=O)[O-]

Isomeric SMILES

C1C[C@@H]([NH+](C1)C[C@@H](COC2=CC=CC=C2)O)C(=O)[O-]

InChI

InChI=1S/C14H19NO4/c16-11(10-19-12-5-2-1-3-6-12)9-15-8-4-7-13(15)14(17)18/h1-3,5-6,11,13,16H,4,7-10H2,(H,17,18)/t11-,13+/m0/s1