N5,N5,1,1-tetrakis[1,3-bis(oxidanyl)propan-2-yl]-2H-pyrazin-1-ium-2,5-dicarboxamide

Systemtic Name: N5,N5,1,1-tetrakis[1,3-bis(oxidanyl)propan-2-yl]-2H-pyrazin-1-ium-2,5-dicarboxamide Openeye Name: N5,N5,1,1-tetrakis[2-hydroxy-1-(hydroxymethyl)ethyl]-2H-pyrazin-1-ium-2,5-dicarboxamide CAS Name: N5,N5,1,1-tetrakis(1,3-dihydroxypropan-2-yl)-2H-pyrazin-1-ium-2,5-dicarboxamide IUPAC Name: 5-N,5-N,1,1-tetrakis(1,3-dihydroxypropan-2-yl)-2H-pyrazin-1-ium-2,5-dicarboxamide Traditional Name: N',N',1,1-tetrakis(2-hydroxy-1-methylol-ethyl)-2H-pyrazin-1-ium-2,5-dicarboxamide Formula: C18H33N4O10+ MolecularWeight: 465.47542

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=C[N+](C1C(=O)N)(C(CO)CO)C(CO)CO)C(=O)N(C(CO)CO)C(CO)CO

Isomeric SMILES

C1=NC(=C[N+](C1C(=O)N)(C(CO)CO)C(CO)CO)C(=O)N(C(CO)CO)C(CO)CO

InChI

InChI=1S/C18H32N4O10/c19-17(31)16-1-20-15(2-22(16,13(7-27)8-28)14(9-29)10-30)18(32)21(11(3-23)4-24)12(5-25)6-26/h1-2,11-14,16,23-30H,3-10H2,(H-,19,31)/p+1