N-(2-hydroxyethyl)-3-(hydroxymethyl)-1,4-bis(oxidanyl)quinoxaline-1,4-diium-2-carboxamide

Systemtic Name: N-(2-hydroxyethyl)-3-(hydroxymethyl)-1,4-bis(oxidanyl)quinoxaline-1,4-diium-2-carboxamide Openeye Name: 1,4-dihydroxy-N-(2-hydroxyethyl)-3-(hydroxymethyl)quinoxaline-1,4-diium-2-carboxamide CAS Name: 1,4-dihydroxy-N-(2-hydroxyethyl)-3-(hydroxymethyl)-2-quinoxaline-1,4-diiumcarboxamide IUPAC Name: 1,4-dihydroxy-N-(2-hydroxyethyl)-3-(hydroxymethyl)quinoxaline-1,4-diium-2-carboxamide Traditional Name: 1,4-dihydroxy-N-(2-hydroxyethyl)-3-methylol-quinoxaline-1,4-diium-2-carboxamide Formula: C12H15N3O5+2 MolecularWeight: 281.2646

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)[N+](=C(C(=[N+]2O)C(=O)NCCO)CO)O

Isomeric SMILES

C1=CC=C2C(=C1)[N+](=C(C(=[N+]2O)C(=O)NCCO)CO)O

InChI

InChI=1S/C12H14N3O5/c16-6-5-13-12(18)11-10(7-17)14(19)8-3-1-2-4-9(8)15(11)20/h1-4,16-17H,5-7H2,(H2-,13,18,19,20)/q+1/p+1