5-[(4-methylpiperazin-1-ium-1-yl)methyl]furan-2-carboxylate

Systemtic Name: 5-[(4-methylpiperazin-1-ium-1-yl)methyl]furan-2-carboxylate Openeye Name: 5-[(4-methylpiperazin-1-ium-1-yl)methyl]furan-2-carboxylate CAS Name: 5-[(4-methyl-1-piperazin-1-iumyl)methyl]-2-furancarboxylate IUPAC Name: 5-[(4-methylpiperazin-1-ium-1-yl)methyl]furan-2-carboxylate Traditional Name: 5-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-furoate Formula: C11H16N2O3 MolecularWeight: 224.25634

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)CC2=CC=C(O2)C(=O)[O-]

Isomeric SMILES

CN1CC[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)