3-(hydroxymethyl)-2-methyl-1-oxidanidyl-4-oxidanylidene-5,6,7,8-tetrahydroquinoxalin-4-ium-5,8-diol

Systemtic Name: 3-(hydroxymethyl)-2-methyl-1-oxidanidyl-4-oxidanylidene-5,6,7,8-tetrahydroquinoxalin-4-ium-5,8-diol Openeye Name: 3-(hydroxymethyl)-2-methyl-1-oxido-4-oxo-5,6,7,8-tetrahydroquinoxalin-4-ium-5,8-diol CAS Name: 3-(hydroxymethyl)-2-methyl-1-oxido-4-oxo-5,6,7,8-tetrahydroquinoxalin-4-ium-5,8-diol IUPAC Name: 3-(hydroxymethyl)-2-methyl-1-oxido-4-oxo-5,6,7,8-tetrahydroquinoxalin-4-ium-5,8-diol Traditional Name: 1-keto-3-methyl-2-methylol-4-oxido-5,6,7,8-tetrahydroquinoxalin-1-ium-5,8-diol Formula: C10H14N2O5 MolecularWeight: 242.22856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+](=O)C2=C(N1[O-])C(CCC2O)O)CO

Isomeric SMILES

CC1=C([N+](=O)C2=C(N1[O-])C(CCC2O)O)CO

InChI

InChI=1S/C10H14N2O5/c1-5-6(4-13)12(17)10-8(15)3-2-7(14)9(10)11(5)16/h7-8,13-15H,2-4H2,1H3