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

Systemtic Name: 2-[(2-chlorophenyl)methyl]-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]isoindole-1,3-dione Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)-2-[(2-chlorophenyl)methyl]isoindoline-1,3-dione CAS Name: 2-[(2-chlorophenyl)methyl]-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]isoindole-1,3-dione IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)-2-[(2-chlorophenyl)methyl]isoindole-1,3-dione Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-2-(2-chlorobenzyl)isoindoline-1,3-quinone Formula: C26H25ClN3O2+ MolecularWeight: 446.9486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CC=CC=C5Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CC=CC=C5Cl

InChI

InChI=1S/C26H24ClN3O2/c27-22-11-5-4-9-20(22)18-30-25(31)21-10-6-12-23(24(21)26(30)32)29-15-13-28(14-16-29)17-19-7-2-1-3-8-19/h1-12H,13-18H2/p+1