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

Systemtic Name: N5,1-dimethyl-N5,1-bis[2,3,4-tris(oxidanyl)butyl]-2H-pyrazin-1-ium-2,5-dicarboxamide Openeye Name: N5,1-dimethyl-N5,1-bis(2,3,4-trihydroxybutyl)-2H-pyrazin-1-ium-2,5-dicarboxamide CAS Name: N5,1-dimethyl-N5,1-bis(2,3,4-trihydroxybutyl)-2H-pyrazin-1-ium-2,5-dicarboxamide IUPAC Name: 5-N,1-dimethyl-5-N,1-bis(2,3,4-trihydroxybutyl)-2H-pyrazin-1-ium-2,5-dicarboxamide Traditional Name: N',1-dimethyl-N',1-bis(2,3,4-trihydroxybutyl)-2H-pyrazin-1-ium-2,5-dicarboxamide Formula: C16H29N4O8+ MolecularWeight: 405.42346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H28N4O8/c1-19(4-11(23)13(25)7-21)16(28)9-5-20(2,6-12(24)14(26)8-22)10(3-18-9)15(17)27/h3,5,10-14,21-26H,4,6-8H2,1-2H3,(H-,17,27)/p+1