2-[1-(furan-3-ylmethyl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate

Systemtic Name: 2-[1-(furan-3-ylmethyl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate Openeye Name: 2-[1-(3-furylmethyl)-3-oxo-piperazin-1-ium-2-yl]acetate CAS Name: 2-[1-(3-furanylmethyl)-3-oxo-2-piperazin-1-iumyl]acetate IUPAC Name: 2-[1-(furan-3-ylmethyl)-3-oxopiperazin-1-ium-2-yl]acetate Traditional Name: 2-[1-(3-furfuryl)-3-keto-piperazin-1-ium-2-yl]acetate Formula: C11H14N2O4 MolecularWeight: 238.23986

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C(C(=O)N1)CC(=O)[O-])CC2=COC=C2

Isomeric SMILES

C1C[NH+](C(C(=O)N1)CC(=O)[O-])CC2=COC=C2

InChI

InChI=1S/C11H14N2O4/c14-10(15)5-9-11(16)12-2-3-13(9)6-8-1-4-17-7-8/h1,4,7,9H,2-3,5-6H2,(H,12,16)(H,14,15)