2-[4-(2-cyanoethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethanoate

Systemtic Name: 2-[4-(2-cyanoethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethanoate Openeye Name: 2-[4-(2-cyanoethyl)piperazin-4-ium-1-yl]-2-oxo-acetate CAS Name: 2-[4-(2-cyanoethyl)-1-piperazin-4-iumyl]-2-oxoacetate IUPAC Name: 2-[4-(2-cyanoethyl)piperazin-4-ium-1-yl]-2-oxoacetate Traditional Name: 2-[4-(2-cyanoethyl)piperazin-4-ium-1-yl]-2-keto-acetate Formula: C9H13N3O3 MolecularWeight: 211.21782

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC#N)C(=O)C(=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CCC#N)C(=O)C(=O)[O-]

InChI

InChI=1S/C9H13N3O3/c10-2-1-3-11-4-6-12(7-5-11)8(13)9(14)15/h1,3-7H2,(H,14,15)