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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1C(=O)NCC[NH+]1CC2=COC=C2

Isomeric SMILES

CCOC(=O)CC1C(=O)NCC[NH+]1CC2=COC=C2

InChI

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