4-[(3R)-2,5-bis(oxidanylidene)-3-(3-oxidanylidenepiperazin-1-ium-1-yl)pyrrolidin-1-yl]benzoate

Systemtic Name: 4-[(3R)-2,5-bis(oxidanylidene)-3-(3-oxidanylidenepiperazin-1-ium-1-yl)pyrrolidin-1-yl]benzoate Openeye Name: 4-[(3R)-2,5-dioxo-3-(3-oxopiperazin-1-ium-1-yl)pyrrolidin-1-yl]benzoate CAS Name: 4-[(3R)-2,5-dioxo-3-(3-oxo-1-piperazin-1-iumyl)-1-pyrrolidinyl]benzoate IUPAC Name: 4-[(3R)-2,5-dioxo-3-(3-oxopiperazin-1-ium-1-yl)pyrrolidin-1-yl]benzoate Traditional Name: 4-[(3R)-2,5-diketo-3-(3-ketopiperazin-1-ium-1-yl)pyrrolidino]benzoate Formula: C15H15N3O5 MolecularWeight: 317.2967

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(=O)N1)C2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1C[NH+](CC(=O)N1)[C@@H]2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C15H15N3O5/c19-12-8-17(6-5-16-12)11-7-13(20)18(14(11)21)10-3-1-9(2-4-10)15(22)23/h1-4,11H,5-8H2,(H,16,19)(H,22,23)/t11-/m1/s1