(phenylmethyl) (2S)-1-(3-methylimidazol-3-ium-1-yl)carbonylpyrrolidine-2-carboxylate

Systemtic Name: (phenylmethyl) (2S)-1-(3-methylimidazol-3-ium-1-yl)carbonylpyrrolidine-2-carboxylate Openeye Name: benzyl (2S)-1-(3-methylimidazol-3-ium-1-carbonyl)pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(3-methyl-1-imidazol-3-iumyl)-oxomethyl]-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-1-(3-methylimidazol-3-ium-1-carbonyl)pyrrolidine-2-carboxylate Traditional Name: (2S)-1-(3-methylimidazol-3-ium-1-carbonyl)pyrrolidine-2-carboxylic acid benzyl ester Formula: C17H20N3O3+ MolecularWeight: 314.359

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)C(=O)N2CCCC2C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C[N+]1=CN(C=C1)C(=O)N2CCC[C@H]2C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C17H20N3O3/c1-18-10-11-19(13-18)17(22)20-9-5-8-15(20)16(21)23-12-14-6-3-2-4-7-14/h2-4,6-7,10-11,13,15H,5,8-9,12H2,1H3/q+1/t15-/m0/s1