5-[(3-oxidanylidenepiperazin-1-ium-1-yl)methyl]furan-2-carboxylate

Systemtic Name: 5-[(3-oxidanylidenepiperazin-1-ium-1-yl)methyl]furan-2-carboxylate Openeye Name: 5-[(3-oxopiperazin-1-ium-1-yl)methyl]furan-2-carboxylate CAS Name: 5-[(3-oxo-1-piperazin-1-iumyl)methyl]-2-furancarboxylate IUPAC Name: 5-[(3-oxopiperazin-1-ium-1-yl)methyl]furan-2-carboxylate Traditional Name: 5-[(3-ketopiperazin-1-ium-1-yl)methyl]-2-furoate Formula: C10H12N2O4 MolecularWeight: 224.21328

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(=O)N1)CC2=CC=C(O2)C(=O)[O-]

Isomeric SMILES

C1C[NH+](CC(=O)N1)CC2=CC=C(O2)C(=O)[O-]

InChI

InChI=1S/C10H12N2O4/c13-9-6-12(4-3-11-9)5-7-1-2-8(16-7)10(14)15/h1-2H,3-6H2,(H,11,13)(H,14,15)