2-[2-[4-(2,4-dichlorophenyl)carbonylpiperazin-1-ium-1-yl]ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[4-(2,4-dichlorophenyl)carbonylpiperazin-1-ium-1-yl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[4-(2,4-dichlorobenzoyl)piperazin-1-ium-1-yl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[4-[(2,4-dichlorophenyl)-oxomethyl]-1-piperazin-1-iumyl]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[4-(2,4-dichlorobenzoyl)piperazin-1-ium-1-yl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[4-(2,4-dichlorobenzoyl)piperazin-1-ium-1-yl]ethyl]isoindoline-1,3-quinone Formula: C21H20Cl2N3O3+ MolecularWeight: 433.3078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCN2C(=O)C3=CC=CC=C3C2=O)C(=O)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1CN(CC[NH+]1CCN2C(=O)C3=CC=CC=C3C2=O)C(=O)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H19Cl2N3O3/c22-14-5-6-17(18(23)13-14)19(27)25-10-7-24(8-11-25)9-12-26-20(28)15-3-1-2-4-16(15)21(26)29/h1-6,13H,7-12H2/p+1