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

Systemtic Name: 4-[4-(2-cyanoethyl)piperazin-4-ium-1-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[4-(2-cyanoethyl)piperazin-4-ium-1-yl]-4-oxo-butanoate CAS Name: 4-[4-(2-cyanoethyl)-1-piperazin-4-iumyl]-4-oxobutanoate IUPAC Name: 4-[4-(2-cyanoethyl)piperazin-4-ium-1-yl]-4-oxobutanoate Traditional Name: 4-[4-(2-cyanoethyl)piperazin-4-ium-1-yl]-4-keto-butyrate Formula: C11H17N3O3 MolecularWeight: 239.27098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H17N3O3/c12-4-1-5-13-6-8-14(9-7-13)10(15)2-3-11(16)17/h1-3,5-9H2,(H,16,17)