2-[2-oxidanylidene-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-oxidanylidene-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]isoindoline-1,3-dione CAS Name: 2-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-keto-ethyl]isoindoline-1,3-quinone Formula: C23H24N3O3+ MolecularWeight: 390.45496

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C(=O)CN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C(=O)CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C23H23N3O3/c27-21(17-26-22(28)19-10-4-5-11-20(19)23(26)29)25-15-13-24(14-16-25)12-6-9-18-7-2-1-3-8-18/h1-11H,12-17H2/p+1/b9-6+