3-oxidanylidene-3-piperazin-4-ium-1-yl-propanoate

Systemtic Name: 3-oxidanylidene-3-piperazin-4-ium-1-yl-propanoate Openeye Name: 3-oxo-3-piperazin-4-ium-1-yl-propanoate CAS Name: 3-oxo-3-(1-piperazin-4-iumyl)propanoate IUPAC Name: 3-oxo-3-piperazin-4-ium-1-ylpropanoate Traditional Name: 3-keto-3-piperazin-4-ium-1-yl-propionate Formula: C7H12N2O3 MolecularWeight: 172.18178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(=O)CC(=O)[O-]

Isomeric SMILES

C1CN(CC[NH2+]1)C(=O)CC(=O)[O-]

InChI

InChI=1S/C7H12N2O3/c10-6(5-7(11)12)9-3-1-8-2-4-9/h8H,1-5H2,(H,11,12)