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

Systemtic Name: methyl 5-[(3-oxidanylidenepiperazin-1-ium-1-yl)methyl]furan-2-carboxylate Openeye Name: methyl 5-[(3-oxopiperazin-1-ium-1-yl)methyl]furan-2-carboxylate CAS Name: 5-[(3-oxo-1-piperazin-1-iumyl)methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(3-oxopiperazin-1-ium-1-yl)methyl]furan-2-carboxylate Traditional Name: 5-[(3-ketopiperazin-1-ium-1-yl)methyl]furan-2-carboxylic acid methyl ester Formula: C11H15N2O4+ MolecularWeight: 239.2478

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)C[NH+]2CCNC(=O)C2

Isomeric SMILES

COC(=O)C1=CC=C(O1)C[NH+]2CCNC(=O)C2

InChI

InChI=1S/C11H14N2O4/c1-16-11(15)9-3-2-8(17-9)6-13-5-4-12-10(14)7-13/h2-3H,4-7H2,1H3,(H,12,14)/p+1