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

Systemtic Name: 4-oxidanylidene-4-(4-prop-2-enylpiperazin-4-ium-1-yl)butanoate Openeye Name: 4-(4-allylpiperazin-4-ium-1-yl)-4-oxo-butanoate CAS Name: 4-oxo-4-(4-prop-2-enyl-1-piperazin-4-iumyl)butanoate IUPAC Name: 4-oxo-4-(4-prop-2-enylpiperazin-4-ium-1-yl)butanoate Traditional Name: 4-(4-allylpiperazin-4-ium-1-yl)-4-keto-butyrate Formula: C11H18N2O3 MolecularWeight: 226.27222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H18N2O3/c1-2-5-12-6-8-13(9-7-12)10(14)3-4-11(15)16/h2H,1,3-9H2,(H,15,16)