2-[6-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]hexyl]isoindole-1,3-dione

Systemtic Name: 2-[6-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]hexyl]isoindole-1,3-dione Openeye Name: 2-[6-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]hexyl]isoindoline-1,3-dione CAS Name: 2-[6-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]hexyl]isoindole-1,3-dione IUPAC Name: 2-[6-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]hexyl]isoindole-1,3-dione Traditional Name: 2-[6-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]hexyl]isoindoline-1,3-quinone Formula: C24H29ClN3O2+ MolecularWeight: 426.95896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCCCCN2C(=O)C3=CC=CC=C3C2=O)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CCCCCCN2C(=O)C3=CC=CC=C3C2=O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C24H28ClN3O2/c25-19-8-7-9-20(18-19)27-16-14-26(15-17-27)12-5-1-2-6-13-28-23(29)21-10-3-4-11-22(21)24(28)30/h3-4,7-11,18H,1-2,5-6,12-17H2/p+1