(phenylmethyl) (2S)-1-[(2S)-pyrrolidin-1-ium-2-yl]carbonylpyrrolidine-2-carboxylate chloride

Systemtic Name: (phenylmethyl) (2S)-1-[(2S)-pyrrolidin-1-ium-2-yl]carbonylpyrrolidine-2-carboxylate chloride Openeye Name: benzyl (2S)-1-[(2S)-pyrrolidin-1-ium-2-carbonyl]pyrrolidine-2-carboxylate chloride CAS Name: (2S)-1-[oxo-[(2S)-2-pyrrolidin-1-iumyl]methyl]-2-pyrrolidinecarboxylic acid (phenylmethyl) ester chloride IUPAC Name: benzyl (2S)-1-[(2S)-pyrrolidin-1-ium-2-carbonyl]pyrrolidine-2-carboxylate chloride Traditional Name: (2S)-1-[(2S)-pyrrolidin-1-ium-2-carbonyl]pyrrolidine-2-carboxylic acid benzyl ester chloride Formula: C17H23ClN2O3 MolecularWeight: 338.82912

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH2+]C1)C(=O)N2CCCC2C(=O)OCC3=CC=CC=C3.[Cl-]

Isomeric SMILES

C1C[C@H]([NH2+]C1)C(=O)N2CCC[C@H]2C(=O)OCC3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C17H22N2O3.ClH/c20-16(14-8-4-10-18-14)19-11-5-9-15(19)17(21)22-12-13-6-2-1-3-7-13;/h1-3,6-7,14-15,18H,4-5,8-12H2;1H/t14-,15-;/m0./s1