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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(O1)C(=O)NCC(=O)[O-])[NH+]2CCN(CC2)C

Isomeric SMILES

C[C@@H](C1=CC=C(O1)C(=O)NCC(=O)[O-])[NH+]2CCN(CC2)C

InChI

InChI=1S/C14H21N3O4/c1-10(17-7-5-16(2)6-8-17)11-3-4-12(21-11)14(20)15-9-13(18)19/h3-4,10H,5-9H2,1-2H3,(H,15,20)(H,18,19)/t10-/m0/s1