2-[1-(3-methylbut-2-enyl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate

Systemtic Name: 2-[1-(3-methylbut-2-enyl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate Openeye Name: 2-[1-(3-methylbut-2-enyl)-3-oxo-piperazin-1-ium-2-yl]acetate CAS Name: 2-[1-(3-methylbut-2-enyl)-3-oxo-2-piperazin-1-iumyl]acetate IUPAC Name: 2-[1-(3-methylbut-2-enyl)-3-oxopiperazin-1-ium-2-yl]acetate Traditional Name: 2-[3-keto-1-(3-methylbut-2-enyl)piperazin-1-ium-2-yl]acetate Formula: C11H18N2O3 MolecularWeight: 226.27222

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC[NH+]1CCNC(=O)C1CC(=O)[O-])C

Isomeric SMILES

CC(=CC[NH+]1CCNC(=O)C1CC(=O)[O-])C

InChI

InChI=1S/C11H18N2O3/c1-8(2)3-5-13-6-4-12-11(16)9(13)7-10(14)15/h3,9H,4-7H2,1-2H3,(H,12,16)(H,14,15)