ethyl 2-[4-(furan-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-(furan-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanoate Openeye Name: ethyl 2-[4-(2-furylmethyl)piperazine-1,4-diium-1-yl]acetate CAS Name: 2-[4-(2-furanylmethyl)-1-piperazine-1,4-diiumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(furan-2-ylmethyl)piperazine-1,4-diium-1-yl]acetate Traditional Name: 2-[4-(2-furfuryl)piperazine-1,4-diium-1-yl]acetic acid ethyl ester Formula: C13H22N2O3+2 MolecularWeight: 254.32538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[NH+]1CC[NH+](CC1)CC2=CC=CO2

Isomeric SMILES

CCOC(=O)C[NH+]1CC[NH+](CC1)CC2=CC=CO2

InChI

InChI=1S/C13H20N2O3/c1-2-17-13(16)11-15-7-5-14(6-8-15)10-12-4-3-9-18-12/h3-4,9H,2,5-8,10-11H2,1H3/p+2