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

Systemtic Name: N5,1-dimethyl-N5,1-bis[2-methyl-1,3-bis(oxidanyl)propan-2-yl]-2H-pyrazin-1-ium-2,5-dicarboxamide Openeye Name: N5,1-bis[2-hydroxy-1-(hydroxymethyl)-1-methyl-ethyl]-N5,1-dimethyl-2H-pyrazin-1-ium-2,5-dicarboxamide CAS Name: N5,1-bis(1,3-dihydroxy-2-methylpropan-2-yl)-N5,1-dimethyl-2H-pyrazin-1-ium-2,5-dicarboxamide IUPAC Name: 5-N,1-bis(1,3-dihydroxy-2-methylpropan-2-yl)-5-N,1-dimethyl-2H-pyrazin-1-ium-2,5-dicarboxamide Traditional Name: N',1-bis(2-hydroxy-1-methyl-1-methylol-ethyl)-N',1-dimethyl-2H-pyrazin-1-ium-2,5-dicarboxamide Formula: C16H29N4O6+ MolecularWeight: 373.42466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H28N4O6/c1-15(7-21,8-22)19(3)14(26)11-6-20(4,16(2,9-23)10-24)12(5-18-11)13(17)25/h5-6,12,21-24H,7-10H2,1-4H3,(H-,17,25)/p+1