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

Systemtic Name: 2-[3-oxidanylidene-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propyl]isoindole-1,3-dione Openeye Name: 2-[3-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-3-oxo-propyl]isoindoline-1,3-dione CAS Name: 2-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propyl]isoindole-1,3-dione Traditional Name: 2-[3-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-3-keto-propyl]isoindoline-1,3-quinone Formula: C24H26N3O3+ MolecularWeight: 404.48154

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C(=O)CCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C(=O)CCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C24H25N3O3/c28-22(12-14-27-23(29)20-10-4-5-11-21(20)24(27)30)26-17-15-25(16-18-26)13-6-9-19-7-2-1-3-8-19/h1-11H,12-18H2/p+1/b9-6+