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

Systemtic Name: 3-[(3-oxidanylidenepiperazin-1-ium-1-yl)methyl]-1-benzofuran-2-carboxylate Openeye Name: 3-[(3-oxopiperazin-1-ium-1-yl)methyl]benzofuran-2-carboxylate CAS Name: 3-[(3-oxo-1-piperazin-1-iumyl)methyl]-2-benzofurancarboxylate IUPAC Name: 3-[(3-oxopiperazin-1-ium-1-yl)methyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[(3-ketopiperazin-1-ium-1-yl)methyl]coumarilate Formula: C14H14N2O4 MolecularWeight: 274.27196

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(=O)N1)CC2=C(OC3=CC=CC=C32)C(=O)[O-]

Isomeric SMILES

C1C[NH+](CC(=O)N1)CC2=C(OC3=CC=CC=C32)C(=O)[O-]

InChI

InChI=1S/C14H14N2O4/c17-12-8-16(6-5-15-12)7-10-9-3-1-2-4-11(9)20-13(10)14(18)19/h1-4H,5-8H2,(H,15,17)(H,18,19)