(2R)-1-[(2S)-2-[2-hydroxyethyl(methyl)azaniumyl]-2-phenyl-ethanoyl]pyrrolidine-2-carboxylate

Systemtic Name: (2R)-1-[(2S)-2-[2-hydroxyethyl(methyl)azaniumyl]-2-phenyl-ethanoyl]pyrrolidine-2-carboxylate Openeye Name: (2R)-1-[(2S)-2-[2-hydroxyethyl(methyl)ammonio]-2-phenyl-acetyl]pyrrolidine-2-carboxylate CAS Name: (2R)-1-[(2S)-2-[2-hydroxyethyl(methyl)ammonio]-1-oxo-2-phenylethyl]-2-pyrrolidinecarboxylate IUPAC Name: (2R)-1-[(2S)-2-[2-hydroxyethyl(methyl)azaniumyl]-2-phenylacetyl]pyrrolidine-2-carboxylate Traditional Name: (2R)-1-[(2S)-2-[2-hydroxyethyl(methyl)ammonio]-2-phenyl-acetyl]pyrrolidine-2-carboxylate Formula: C16H22N2O4 MolecularWeight: 306.35688

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCO)C(C1=CC=CC=C1)C(=O)N2CCCC2C(=O)[O-]

Isomeric SMILES

C[NH+](CCO)[C@@H](C1=CC=CC=C1)C(=O)N2CCC[C@@H]2C(=O)[O-]

InChI

InChI=1S/C16H22N2O4/c1-17(10-11-19)14(12-6-3-2-4-7-12)15(20)18-9-5-8-13(18)16(21)22/h2-4,6-7,13-14,19H,5,8-11H2,1H3,(H,21,22)/t13-,14+/m1/s1