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

Systemtic Name: 4-[(3S)-2,5-bis(oxidanylidene)-3-pyrrolidin-1-ium-1-yl-pyrrolidin-1-yl]benzoate Openeye Name: 4-[(3S)-2,5-dioxo-3-pyrrolidin-1-ium-1-yl-pyrrolidin-1-yl]benzoate CAS Name: 4-[(3S)-2,5-dioxo-3-(1-pyrrolidin-1-iumyl)-1-pyrrolidinyl]benzoate IUPAC Name: 4-[(3S)-2,5-dioxo-3-pyrrolidin-1-ium-1-ylpyrrolidin-1-yl]benzoate Traditional Name: 4-[(3S)-2,5-diketo-3-pyrrolidin-1-ium-1-yl-pyrrolidino]benzoate Formula: C15H16N2O4 MolecularWeight: 288.29854

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)[C@H]2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C15H16N2O4/c18-13-9-12(16-7-1-2-8-16)14(19)17(13)11-5-3-10(4-6-11)15(20)21/h3-6,12H,1-2,7-9H2,(H,20,21)/t12-/m0/s1