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

Systemtic Name: ethyl 2-[(2R)-3-oxidanylidene-1-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-2-yl]ethanoate Openeye Name: ethyl 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]acetic acid ethyl ester IUPAC Name: ethyl 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]acetic acid ethyl ester Formula: C17H23N2O3+ MolecularWeight: 303.37612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1C(=O)NCC[NH+]1CC=CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C[C@@H]1C(=O)NCC[NH+]1C/C=C/C2=CC=CC=C2

InChI

InChI=1S/C17H22N2O3/c1-2-22-16(20)13-15-17(21)18-10-12-19(15)11-6-9-14-7-4-3-5-8-14/h3-9,15H,2,10-13H2,1H3,(H,18,21)/p+1/b9-6+/t15-/m1/s1