4-[bis(oxidanyl)methyl]-1,6-diethyl-3-oxidanidyl-imidazo[4,5-d]imidazol-3-ium-5-one

Systemtic Name: 4-[bis(oxidanyl)methyl]-1,6-diethyl-3-oxidanidyl-imidazo[4,5-d]imidazol-3-ium-5-one Openeye Name: 4-(dihydroxymethyl)-1,6-diethyl-3-oxido-imidazo[4,5-d]imidazol-3-ium-5-one CAS Name: 4-(dihydroxymethyl)-1,6-diethyl-3-oxido-5-imidazo[4,5-d]imidazol-3-iumone IUPAC Name: 4-(dihydroxymethyl)-1,6-diethyl-3-oxidoimidazo[4,5-d]imidazol-3-ium-5-one Traditional Name: 4-(dihydroxymethyl)-1,6-diethyl-3-oxido-imidaz[4,5-d]imidazol-3-ium-5-one Formula: C9H14N4O4 MolecularWeight: 242.23186

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=[N+](C2=C1N(C(=O)N2C(O)O)CC)[O-]

Isomeric SMILES

CCN1C=[N+](C2=C1N(C(=O)N2C(O)O)CC)[O-]

InChI

InChI=1S/C9H14N4O4/c1-3-10-5-12(17)7-6(10)11(4-2)8(14)13(7)9(15)16/h5,9,15-16H,3-4H2,1-2H3