5-[(1S)-1-(4-ethanoylpiperazin-1-ium-1-yl)ethyl]furan-2-carboxylate

Systemtic Name: 5-[(1S)-1-(4-ethanoylpiperazin-1-ium-1-yl)ethyl]furan-2-carboxylate Openeye Name: 5-[(1S)-1-(4-acetylpiperazin-1-ium-1-yl)ethyl]furan-2-carboxylate CAS Name: 5-[(1S)-1-(4-acetyl-1-piperazin-1-iumyl)ethyl]-2-furancarboxylate IUPAC Name: 5-[(1S)-1-(4-acetylpiperazin-1-ium-1-yl)ethyl]furan-2-carboxylate Traditional Name: 5-[(1S)-1-(4-acetylpiperazin-1-ium-1-yl)ethyl]-2-furoate Formula: C13H18N2O4 MolecularWeight: 266.29302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(O1)C(=O)[O-])[NH+]2CCN(CC2)C(=O)C

Isomeric SMILES

C[C@@H](C1=CC=C(O1)C(=O)[O-])[NH+]2CCN(CC2)C(=O)C

InChI

InChI=1S/C13H18N2O4/c1-9(11-3-4-12(19-11)13(17)18)14-5-7-15(8-6-14)10(2)16/h3-4,9H,5-8H2,1-2H3,(H,17,18)/t9-/m0/s1