5-[4-(2-cyanoethyl)piperazin-4-ium-1-yl]-5-oxidanylidene-pentanoate

Systemtic Name: 5-[4-(2-cyanoethyl)piperazin-4-ium-1-yl]-5-oxidanylidene-pentanoate Openeye Name: 5-[4-(2-cyanoethyl)piperazin-4-ium-1-yl]-5-oxo-pentanoate CAS Name: 5-[4-(2-cyanoethyl)-1-piperazin-4-iumyl]-5-oxopentanoate IUPAC Name: 5-[4-(2-cyanoethyl)piperazin-4-ium-1-yl]-5-oxopentanoate Traditional Name: 5-[4-(2-cyanoethyl)piperazin-4-ium-1-yl]-5-keto-valerate Formula: C12H19N3O3 MolecularWeight: 253.29756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19N3O3/c13-5-2-6-14-7-9-15(10-8-14)11(16)3-1-4-12(17)18/h1-4,6-10H2,(H,17,18)