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

Systemtic Name: 2-[[5-[(4-methylpiperazin-1-ium-1-yl)methyl]furan-2-yl]carbonylamino]ethanoate Openeye Name: 2-[[5-[(4-methylpiperazin-1-ium-1-yl)methyl]furan-2-carbonyl]amino]acetate CAS Name: 2-[[[5-[(4-methyl-1-piperazin-1-iumyl)methyl]-2-furanyl]-oxomethyl]amino]acetate IUPAC Name: 2-[[5-[(4-methylpiperazin-1-ium-1-yl)methyl]furan-2-carbonyl]amino]acetate Traditional Name: 2-[[5-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-furoyl]amino]acetate Formula: C13H19N3O4 MolecularWeight: 281.30766

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)CC2=CC=C(O2)C(=O)NCC(=O)[O-]

Isomeric SMILES

CN1CC[NH+](CC1)CC2=CC=C(O2)C(=O)NCC(=O)[O-]

InChI

InChI=1S/C13H19N3O4/c1-15-4-6-16(7-5-15)9-10-2-3-11(20-10)13(19)14-8-12(17)18/h2-3H,4-9H2,1H3,(H,14,19)(H,17,18)