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

Systemtic Name: 2-[4-oxidanylidene-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-4-oxo-butyl]isoindoline-1,3-dione CAS Name: 2-[4-oxo-4-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-oxo-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-4-keto-butyl]isoindoline-1,3-quinone Formula: C25H28N3O3+ MolecularWeight: 418.50812

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C(=O)CCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C(=O)CCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C25H27N3O3/c29-23(13-7-15-28-24(30)21-11-4-5-12-22(21)25(28)31)27-18-16-26(17-19-27)14-6-10-20-8-2-1-3-9-20/h1-6,8-12H,7,13-19H2/p+1/b10-6+