3-[3-(3-oxidanidyl-3-oxidanylidene-propyl)-2,3-dihydro-1H-imidazole-1,3-diium-1-yl]propanoate

Systemtic Name: 3-[3-(3-oxidanidyl-3-oxidanylidene-propyl)-2,3-dihydro-1H-imidazole-1,3-diium-1-yl]propanoate Openeye Name: 3-[3-(3-oxido-3-oxo-propyl)-2,3-dihydro-1H-imidazole-1,3-diium-1-yl]propanoate CAS Name: 3-[3-(3-oxido-3-oxopropyl)-2,3-dihydro-1H-imidazole-1,3-diium-1-yl]propanoate IUPAC Name: 3-[3-(3-oxido-3-oxopropyl)-2,3-dihydro-1H-imidazole-1,3-diium-1-yl]propanoate Traditional Name: 3-[3-(3-keto-3-oxido-propyl)-4-imidazoline-1,3-diium-1-yl]propionate Formula: C9H14N2O4 MolecularWeight: 214.21846

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Descriptors Computed from Structure

Canonical SMILES:

C1[NH+](C=C[NH+]1CCC(=O)[O-])CCC(=O)[O-]

Isomeric SMILES

C1[NH+](C=C[NH+]1CCC(=O)[O-])CCC(=O)[O-]

InChI

InChI=1S/C9H14N2O4/c12-8(13)1-3-10-5-6-11(7-10)4-2-9(14)15/h5-6H,1-4,7H2,(H,12,13)(H,14,15)