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

Systemtic Name: 5-[(4-methylpiperazine-1,4-diium-1-yl)methyl]furan-2-carboxylate Openeye Name: 5-[(4-methylpiperazine-1,4-diium-1-yl)methyl]furan-2-carboxylate CAS Name: 5-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-2-furancarboxylate IUPAC Name: 5-[(4-methylpiperazine-1,4-diium-1-yl)methyl]furan-2-carboxylate Traditional Name: 5-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-furoate Formula: C11H17N2O3+ MolecularWeight: 225.26428

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC2=CC=C(O2)C(=O)[O-]

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC2=CC=C(O2)C(=O)[O-]

InChI

InChI=1S/C11H16N2O3/c1-12-4-6-13(7-5-12)8-9-2-3-10(16-9)11(14)15/h2-3H,4-8H2,1H3,(H,14,15)/p+1