4,5-dihydro-1H-imidazol-3-ium; 2-(dioxidanyl)propanoate

Systemtic Name: 4,5-dihydro-1H-imidazol-3-ium; 2-(dioxidanyl)propanoate Openeye Name: 4,5-dihydro-1H-imidazol-3-ium; 2-hydroperoxypropanoate CAS Name: 4,5-dihydro-1H-imidazol-3-ium; 2-hydroperoxypropanoate IUPAC Name: 4,5-dihydro-1H-imidazol-3-ium; 2-hydroperoxypropanoate Traditional Name: 2-hydroperoxypropionate; 2-imidazolin-1-ium Formula: C6H12N2O4 MolecularWeight: 176.17048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])OO.C1C[NH+]=CN1

Isomeric SMILES

CC(C(=O)[O-])OO.C1C[NH+]=CN1

InChI

InChI=1S/C3H6N2.C3H6O4/c1-2-5-3-4-1;1-2(7-6)3(4)5/h3H,1-2H2,(H,4,5);2,6H,1H3,(H,4,5)