4-oxidanidylpyrazin-4-ium-2-carboxylic acid hydrate

Systemtic Name: 4-oxidanidylpyrazin-4-ium-2-carboxylic acid hydrate Openeye Name: 4-oxidopyrazin-4-ium-2-carboxylic acid hydrate CAS Name: 4-oxido-2-pyrazin-4-iumcarboxylic acid hydrate IUPAC Name: 4-oxidopyrazin-4-ium-2-carboxylic acid hydrate Traditional Name: 4-oxidopyrazin-4-ium-2-carboxylic acid hydrate Formula: C5H6N2O4 MolecularWeight: 158.11214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C5H4N2O3.H2O/c8-5(9)4-3-7(10)2-1-6-4;/h1-3H,(H,8,9);1H2