2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanoate

Systemtic Name: 2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanoate Openeye Name: 2-(3-oxopiperazin-1-ium-1-yl)acetate CAS Name: 2-(3-oxo-1-piperazin-1-iumyl)acetate IUPAC Name: 2-(3-oxopiperazin-1-ium-1-yl)acetate Traditional Name: 2-(3-ketopiperazin-1-ium-1-yl)acetate Formula: C6H10N2O3 MolecularWeight: 158.1552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(=O)N1)CC(=O)[O-]

Isomeric SMILES

C1C[NH+](CC(=O)N1)CC(=O)[O-]

InChI

InChI=1S/C6H10N2O3/c9-5-3-8(2-1-7-5)4-6(10)11/h1-4H2,(H,7,9)(H,10,11)