2-[5-(4-phenylpiperazin-1-ium-1-yl)pentyl]isoindole-1,3-dione

Systemtic Name: 2-[5-(4-phenylpiperazin-1-ium-1-yl)pentyl]isoindole-1,3-dione Openeye Name: 2-[5-(4-phenylpiperazin-1-ium-1-yl)pentyl]isoindoline-1,3-dione CAS Name: 2-[5-(4-phenyl-1-piperazin-1-iumyl)pentyl]isoindole-1,3-dione IUPAC Name: 2-[5-(4-phenylpiperazin-1-ium-1-yl)pentyl]isoindole-1,3-dione Traditional Name: 2-[5-(4-phenylpiperazin-1-ium-1-yl)pentyl]isoindoline-1,3-quinone Formula: C23H28N3O2+ MolecularWeight: 378.48732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCCCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CCCCCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4

InChI

InChI=1S/C23H27N3O2/c27-22-20-11-5-6-12-21(20)23(28)26(22)14-8-2-7-13-24-15-17-25(18-16-24)19-9-3-1-4-10-19/h1,3-6,9-12H,2,7-8,13-18H2/p+1