4-oxidanylidene-4-piperazin-4-ium-1-yl-butanoate

Systemtic Name: 4-oxidanylidene-4-piperazin-4-ium-1-yl-butanoate Openeye Name: 4-oxo-4-piperazin-4-ium-1-yl-butanoate CAS Name: 4-oxo-4-(1-piperazin-4-iumyl)butanoate IUPAC Name: 4-oxo-4-piperazin-4-ium-1-ylbutanoate Traditional Name: 4-keto-4-piperazin-4-ium-1-yl-butyrate Formula: C8H14N2O3 MolecularWeight: 186.20836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H14N2O3/c11-7(1-2-8(12)13)10-5-3-9-4-6-10/h9H,1-6H2,(H,12,13)