sodium; azepan-2-one; (2S)-5-oxidanylidenepyrrolidine-2-carboxylate

Systemtic Name: sodium; azepan-2-one; (2S)-5-oxidanylidenepyrrolidine-2-carboxylate Openeye Name: sodium; azepan-2-one; (2S)-5-oxopyrrolidine-2-carboxylate CAS Name: sodium; 2-azepanone; (2S)-5-oxo-2-pyrrolidinecarboxylate IUPAC Name: sodium; azepan-2-one; (2S)-5-oxopyrrolidine-2-carboxylate Traditional Name: sodium; azepan-2-one; (2S)-5-ketopyrrolidine-2-carboxylate Formula: C11H17N2NaO4 MolecularWeight: 264.25345

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)NCC1.C1CC(=O)NC1C(=O)[O-].[Na+]

Isomeric SMILES

C1CCC(=O)NCC1.C1CC(=O)N[C@@H]1C(=O)[O-].[Na+]

InChI

InChI=1S/C6H11NO.C5H7NO3.Na/c8-6-4-2-1-3-5-7-6;7-4-2-1-3(6-4)5(8)9;/h1-5H2,(H,7,8);3H,1-2H2,(H,6,7)(H,8,9);/q;;+1/p-1/t;3-;/m.0./s1