2-(4-methylphenyl)-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-isoindole-1,3-dione

Systemtic Name: 2-(4-methylphenyl)-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-isoindole-1,3-dione Openeye Name: 5-(4-benzylpiperazin-4-ium-1-carbonyl)-2-(p-tolyl)isoindoline-1,3-dione CAS Name: 2-(4-methylphenyl)-5-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]isoindole-1,3-dione IUPAC Name: 5-(4-benzylpiperazin-4-ium-1-carbonyl)-2-(4-methylphenyl)isoindole-1,3-dione Traditional Name: 5-(4-benzylpiperazin-4-ium-1-carbonyl)-2-(p-tolyl)isoindoline-1,3-quinone Formula: C27H26N3O3+ MolecularWeight: 440.51364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)N4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C27H25N3O3/c1-19-7-10-22(11-8-19)30-26(32)23-12-9-21(17-24(23)27(30)33)25(31)29-15-13-28(14-16-29)18-20-5-3-2-4-6-20/h2-12,17H,13-16,18H2,1H3/p+1