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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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