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

Systemtic Name: ethyl 2-[1-(furan-2-ylmethyl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate Openeye Name: ethyl 2-[1-(2-furylmethyl)-3-oxo-piperazin-1-ium-2-yl]acetate CAS Name: 2-[1-(2-furanylmethyl)-3-oxo-2-piperazin-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-(furan-2-ylmethyl)-3-oxopiperazin-1-ium-2-yl]acetate Traditional Name: 2-[1-(2-furfuryl)-3-keto-piperazin-1-ium-2-yl]acetic acid ethyl ester Formula: C13H19N2O4+ MolecularWeight: 267.30096

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1C(=O)NCC[NH+]1CC2=CC=CO2

Isomeric SMILES

CCOC(=O)CC1C(=O)NCC[NH+]1CC2=CC=CO2

InChI

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