2-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]isoindole-1,3-dione Openeye Name: 2-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]isoindoline-1,3-dione CAS Name: 2-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]isoindole-1,3-dione Traditional Name: 2-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]isoindoline-1,3-quinone Formula: C20H22N3O2+ MolecularWeight: 336.40758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4

InChI

InChI=1S/C20H21N3O2/c24-19-17-8-4-5-9-18(17)20(25)23(19)15-12-21-10-13-22(14-11-21)16-6-2-1-3-7-16/h1-9H,10-15H2/p+1