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

Systemtic Name: 4-[(3S)-3-morpholin-4-ium-4-yl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: 4-[(3S)-3-morpholin-4-ium-4-yl-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[(3S)-3-(4-morpholin-4-iumyl)-2,5-dioxo-1-pyrrolidinyl]benzoate IUPAC Name: 4-[(3S)-3-morpholin-4-ium-4-yl-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[(3S)-2,5-diketo-3-morpholin-4-ium-4-yl-pyrrolidino]benzoate Formula: C15H16N2O5 MolecularWeight: 304.29794

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1COCC[NH+]1[C@H]2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C15H16N2O5/c18-13-9-12(16-5-7-22-8-6-16)14(19)17(13)11-3-1-10(2-4-11)15(20)21/h1-4,12H,5-9H2,(H,20,21)/t12-/m0/s1