2-[4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]but-2-ynyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]but-2-ynyl]isoindole-1,3-dione Openeye Name: 2-[4-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]but-2-ynyl]isoindoline-1,3-dione CAS Name: 2-[4-[4-[(E)-3-phenylprop-2-enyl]-1-piperazine-1,4-diiumyl]but-2-ynyl]isoindole-1,3-dione IUPAC Name: 2-[4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]but-2-ynyl]isoindole-1,3-dione Traditional Name: 2-[4-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]but-2-ynyl]isoindoline-1,3-quinone Formula: C25H27N3O2+2 MolecularWeight: 401.50078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC=CC2=CC=CC=C2)CC#CCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1C[NH+](CC[NH+]1C/C=C/C2=CC=CC=C2)CC#CCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C25H25N3O2/c29-24-22-12-4-5-13-23(22)25(30)28(24)16-7-6-14-26-17-19-27(20-18-26)15-8-11-21-9-2-1-3-10-21/h1-5,8-13H,14-20H2/p+2/b11-8+