2-[(2R)-3-oxidanylidene-1-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-2-yl]ethanoate

Systemtic Name: 2-[(2R)-3-oxidanylidene-1-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-2-yl]ethanoate Openeye Name: 2-[(2R)-1-[(E)-cinnamyl]-3-oxo-piperazin-1-ium-2-yl]acetate CAS Name: 2-[(2R)-3-oxo-1-[(E)-3-phenylprop-2-enyl]-2-piperazin-1-iumyl]acetate IUPAC Name: 2-[(2R)-3-oxo-1-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-2-yl]acetate Traditional Name: 2-[(2R)-1-[(E)-cinnamyl]-3-keto-piperazin-1-ium-2-yl]acetate Formula: C15H18N2O3 MolecularWeight: 274.31502

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C(C(=O)N1)CC(=O)[O-])CC=CC2=CC=CC=C2

Isomeric SMILES

C1C[NH+]([C@@H](C(=O)N1)CC(=O)[O-])C/C=C/C2=CC=CC=C2

InChI

InChI=1S/C15H18N2O3/c18-14(19)11-13-15(20)16-8-10-17(13)9-4-7-12-5-2-1-3-6-12/h1-7,13H,8-11H2,(H,16,20)(H,18,19)/b7-4+/t13-/m1/s1