3-[4-(2-cyanoethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propanoate

Systemtic Name: 3-[4-(2-cyanoethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propanoate Openeye Name: 3-[4-(2-cyanoethyl)piperazin-4-ium-1-yl]-3-oxo-propanoate CAS Name: 3-[4-(2-cyanoethyl)-1-piperazin-4-iumyl]-3-oxopropanoate IUPAC Name: 3-[4-(2-cyanoethyl)piperazin-4-ium-1-yl]-3-oxopropanoate Traditional Name: 3-[4-(2-cyanoethyl)piperazin-4-ium-1-yl]-3-keto-propionate Formula: C10H15N3O3 MolecularWeight: 225.2444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H15N3O3/c11-2-1-3-12-4-6-13(7-5-12)9(14)8-10(15)16/h1,3-8H2,(H,15,16)