N5,1-dimethyl-N5,1-bis[1,3,4-tris(oxidanyl)butan-2-yl]-2H-pyrazin-1-ium-3,5-dicarboxamide

Systemtic Name: N5,1-dimethyl-N5,1-bis[1,3,4-tris(oxidanyl)butan-2-yl]-2H-pyrazin-1-ium-3,5-dicarboxamide Openeye Name: N5,1-bis[2,3-dihydroxy-1-(hydroxymethyl)propyl]-N5,1-dimethyl-2H-pyrazin-1-ium-3,5-dicarboxamide CAS Name: N5,1-dimethyl-N5,1-bis(1,3,4-trihydroxybutan-2-yl)-2H-pyrazin-1-ium-3,5-dicarboxamide IUPAC Name: 5-N,1-dimethyl-5-N,1-bis(1,3,4-trihydroxybutan-2-yl)-2H-pyrazin-1-ium-3,5-dicarboxamide Traditional Name: N',1-bis(2,3-dihydroxy-1-methylol-propyl)-N',1-dimethyl-2H-pyrazin-1-ium-3,5-dicarboxamide Formula: C16H29N4O8+ MolecularWeight: 405.42346

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CO)C(CO)O)C(=O)C1=C[N+](CC(=N1)C(=O)N)(C)C(CO)C(CO)O

Isomeric SMILES

CN(C(CO)C(CO)O)C(=O)C1=C[N+](CC(=N1)C(=O)N)(C)C(CO)C(CO)O

InChI

InChI=1S/C16H28N4O8/c1-19(11(5-21)13(25)7-23)16(28)10-4-20(2,3-9(18-10)15(17)27)12(6-22)14(26)8-24/h4,11-14,21-26H,3,5-8H2,1-2H3,(H-,17,27)/p+1