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

Systemtic Name: 2-[4-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)butyl]isoindole-1,3-dione Openeye Name: 2-[4-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)butyl]isoindoline-1,3-dione CAS Name: 2-[4-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)butyl]isoindole-1,3-dione Traditional Name: 2-[4-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]butyl]isoindoline-1,3-quinone Formula: C20H24N5O2+ MolecularWeight: 366.43686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O2/c26-18-16-6-1-2-7-17(16)19(27)25(18)11-4-3-10-23-12-14-24(15-13-23)20-21-8-5-9-22-20/h1-2,5-9H,3-4,10-15H2/p+1