2-[[5-[(4-ethylpiperazin-1-ium-1-yl)methyl]furan-2-yl]carbonylamino]ethanoate

Systemtic Name: 2-[[5-[(4-ethylpiperazin-1-ium-1-yl)methyl]furan-2-yl]carbonylamino]ethanoate Openeye Name: 2-[[5-[(4-ethylpiperazin-1-ium-1-yl)methyl]furan-2-carbonyl]amino]acetate CAS Name: 2-[[[5-[(4-ethyl-1-piperazin-1-iumyl)methyl]-2-furanyl]-oxomethyl]amino]acetate IUPAC Name: 2-[[5-[(4-ethylpiperazin-1-ium-1-yl)methyl]furan-2-carbonyl]amino]acetate Traditional Name: 2-[[5-[(4-ethylpiperazin-1-ium-1-yl)methyl]-2-furoyl]amino]acetate Formula: C14H21N3O4 MolecularWeight: 295.33424

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)CC2=CC=C(O2)C(=O)NCC(=O)[O-]

Isomeric SMILES

CCN1CC[NH+](CC1)CC2=CC=C(O2)C(=O)NCC(=O)[O-]

InChI

InChI=1S/C14H21N3O4/c1-2-16-5-7-17(8-6-16)10-11-3-4-12(21-11)14(20)15-9-13(18)19/h3-4H,2,5-10H2,1H3,(H,15,20)(H,18,19)