(2R)-1-[5-[(4-oxidanylidenepiperidin-1-ium-1-yl)methyl]furan-2-yl]carbonylpyrrolidine-2-carboxylate

Systemtic Name: (2R)-1-[5-[(4-oxidanylidenepiperidin-1-ium-1-yl)methyl]furan-2-yl]carbonylpyrrolidine-2-carboxylate Openeye Name: (2R)-1-[5-[(4-oxopiperidin-1-ium-1-yl)methyl]furan-2-carbonyl]pyrrolidine-2-carboxylate CAS Name: (2R)-1-[oxo-[5-[(4-oxo-1-piperidin-1-iumyl)methyl]-2-furanyl]methyl]-2-pyrrolidinecarboxylate IUPAC Name: (2R)-1-[5-[(4-oxopiperidin-1-ium-1-yl)methyl]furan-2-carbonyl]pyrrolidine-2-carboxylate Traditional Name: (2R)-1-[5-[(4-ketopiperidin-1-ium-1-yl)methyl]-2-furoyl]pyrrolidine-2-carboxylate Formula: C16H20N2O5 MolecularWeight: 320.3404

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC=C(O2)C[NH+]3CCC(=O)CC3)C(=O)[O-]

Isomeric SMILES

C1C[C@@H](N(C1)C(=O)C2=CC=C(O2)C[NH+]3CCC(=O)CC3)C(=O)[O-]

InChI

InChI=1S/C16H20N2O5/c19-11-5-8-17(9-6-11)10-12-3-4-14(23-12)15(20)18-7-1-2-13(18)16(21)22/h3-4,13H,1-2,5-10H2,(H,21,22)/t13-/m1/s1