methyl 2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]ethanoate

Systemtic Name: methyl 2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]ethanoate Openeye Name: methyl 2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetate CAS Name: 2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetate Traditional Name: 2-[4-(2-furoyl)piperazin-1-ium-1-yl]acetic acid methyl ester Formula: C12H17N2O4+ MolecularWeight: 253.27438

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=CO2

Isomeric SMILES

COC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=CO2

InChI

InChI=1S/C12H16N2O4/c1-17-11(15)9-13-4-6-14(7-5-13)12(16)10-3-2-8-18-10/h2-3,8H,4-7,9H2,1H3/p+1