2-oxidanylidene-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethanoate

Systemtic Name: 2-oxidanylidene-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethanoate Openeye Name: 2-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-oxo-acetate CAS Name: 2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]acetate IUPAC Name: 2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]acetate Traditional Name: 2-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-keto-acetate Formula: C15H18N2O3 MolecularWeight: 274.31502

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C(=O)C(=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C(=O)C(=O)[O-]

InChI

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