2-(1-methyl-3-oxidanylidene-piperazin-1-ium-2-yl)ethanoate

Systemtic Name: 2-(1-methyl-3-oxidanylidene-piperazin-1-ium-2-yl)ethanoate Openeye Name: 2-(1-methyl-3-oxo-piperazin-1-ium-2-yl)acetate CAS Name: 2-(1-methyl-3-oxo-2-piperazin-1-iumyl)acetate IUPAC Name: 2-(1-methyl-3-oxopiperazin-1-ium-2-yl)acetate Traditional Name: 2-(3-keto-1-methyl-piperazin-1-ium-2-yl)acetate Formula: C7H12N2O3 MolecularWeight: 172.18178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCNC(=O)C1CC(=O)[O-]

Isomeric SMILES

C[NH+]1CCNC(=O)C1CC(=O)[O-]

InChI

InChI=1S/C7H12N2O3/c1-9-3-2-8-7(12)5(9)4-6(10)11/h5H,2-4H2,1H3,(H,8,12)(H,10,11)