2-[4-(4-pyridin-2-ylpiperazin-1-ium-1-yl)butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-(4-pyridin-2-ylpiperazin-1-ium-1-yl)butyl]isoindole-1,3-dione Openeye Name: 2-[4-[4-(2-pyridyl)piperazin-1-ium-1-yl]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[4-(2-pyridinyl)-1-piperazin-1-iumyl]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-(4-pyridin-2-ylpiperazin-1-ium-1-yl)butyl]isoindole-1,3-dione Traditional Name: 2-[4-[4-(2-pyridyl)piperazin-1-ium-1-yl]butyl]isoindoline-1,3-quinone Formula: C21H25N4O2+ MolecularWeight: 365.4488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CCCCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=N4

InChI

InChI=1S/C21H24N4O2/c26-20-17-7-1-2-8-18(17)21(27)25(20)12-6-5-11-23-13-15-24(16-14-23)19-9-3-4-10-22-19/h1-4,7-10H,5-6,11-16H2/p+1