2-[4-[4-(diphenylmethyl)piperazin-1-ium-1-yl]butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[4-(diphenylmethyl)piperazin-1-ium-1-yl]butyl]isoindole-1,3-dione Openeye Name: 2-[4-(4-benzhydrylpiperazin-1-ium-1-yl)butyl]isoindoline-1,3-dione CAS Name: 2-[4-[4-(diphenylmethyl)-1-piperazin-1-iumyl]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-(4-benzhydrylpiperazin-1-ium-1-yl)butyl]isoindole-1,3-dione Traditional Name: 2-[4-(4-benzhydrylpiperazin-1-ium-1-yl)butyl]isoindoline-1,3-quinone Formula: C29H32N3O2+ MolecularWeight: 454.58328

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCCN2C(=O)C3=CC=CC=C3C2=O)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CCCCN2C(=O)C3=CC=CC=C3C2=O)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H31N3O2/c33-28-25-15-7-8-16-26(25)29(34)32(28)18-10-9-17-30-19-21-31(22-20-30)27(23-11-3-1-4-12-23)24-13-5-2-6-14-24/h1-8,11-16,27H,9-10,17-22H2/p+1