2-oxidanylidene-2-(4-prop-2-enylpiperazin-4-ium-1-yl)ethanoate

Systemtic Name: 2-oxidanylidene-2-(4-prop-2-enylpiperazin-4-ium-1-yl)ethanoate Openeye Name: 2-(4-allylpiperazin-4-ium-1-yl)-2-oxo-acetate CAS Name: 2-oxo-2-(4-prop-2-enyl-1-piperazin-4-iumyl)acetate IUPAC Name: 2-oxo-2-(4-prop-2-enylpiperazin-4-ium-1-yl)acetate Traditional Name: 2-(4-allylpiperazin-4-ium-1-yl)-2-keto-acetate Formula: C9H14N2O3 MolecularWeight: 198.21906

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[NH+]1CCN(CC1)C(=O)C(=O)[O-]

Isomeric SMILES

C=CC[NH+]1CCN(CC1)C(=O)C(=O)[O-]

InChI

InChI=1S/C9H14N2O3/c1-2-3-10-4-6-11(7-5-10)8(12)9(13)14/h2H,1,3-7H2,(H,13,14)