5-oxidanylidene-5-(4-prop-2-enylpiperazin-4-ium-1-yl)pentanoate

Systemtic Name: 5-oxidanylidene-5-(4-prop-2-enylpiperazin-4-ium-1-yl)pentanoate Openeye Name: 5-(4-allylpiperazin-4-ium-1-yl)-5-oxo-pentanoate CAS Name: 5-oxo-5-(4-prop-2-enyl-1-piperazin-4-iumyl)pentanoate IUPAC Name: 5-oxo-5-(4-prop-2-enylpiperazin-4-ium-1-yl)pentanoate Traditional Name: 5-(4-allylpiperazin-4-ium-1-yl)-5-keto-valerate Formula: C12H20N2O3 MolecularWeight: 240.2988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H20N2O3/c1-2-6-13-7-9-14(10-8-13)11(15)4-3-5-12(16)17/h2H,1,3-10H2,(H,16,17)