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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCCCCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4Cl

Isomeric SMILES

C1CN(CC[NH+]1CCCCCCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4Cl

InChI

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