5-[[4-[(5-carboxylatofuran-2-yl)methyl]piperazine-1,4-diium-1-yl]methyl]furan-2-carboxylate

Systemtic Name: 5-[[4-[(5-carboxylatofuran-2-yl)methyl]piperazine-1,4-diium-1-yl]methyl]furan-2-carboxylate Openeye Name: 5-[[4-[(5-carboxylato-2-furyl)methyl]piperazine-1,4-diium-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[(5-carboxylato-2-furanyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-2-furancarboxylate IUPAC Name: 5-[[4-[(5-carboxylatofuran-2-yl)methyl]piperazine-1,4-diium-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-[(5-carboxylato-2-furyl)methyl]piperazine-1,4-diium-1-yl]methyl]-2-furoate Formula: C16H18N2O6 MolecularWeight: 334.32392

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=C(O2)C(=O)[O-])CC3=CC=C(O3)C(=O)[O-]

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=C(O2)C(=O)[O-])CC3=CC=C(O3)C(=O)[O-]

InChI

InChI=1S/C16H18N2O6/c19-15(20)13-3-1-11(23-13)9-17-5-7-18(8-6-17)10-12-2-4-14(24-12)16(21)22/h1-4H,5-10H2,(H,19,20)(H,21,22)