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

Systemtic Name: 2-[3-[4-(4-methylphenyl)piperazin-1-ium-1-yl]propoxy]isoindole-1,3-dione Openeye Name: 2-[3-[4-(p-tolyl)piperazin-1-ium-1-yl]propoxy]isoindoline-1,3-dione CAS Name: 2-[3-[4-(4-methylphenyl)-1-piperazin-1-iumyl]propoxy]isoindole-1,3-dione IUPAC Name: 2-[3-[4-(4-methylphenyl)piperazin-1-ium-1-yl]propoxy]isoindole-1,3-dione Traditional Name: 2-[3-[4-(p-tolyl)piperazin-1-ium-1-yl]propoxy]isoindoline-1,3-quinone Formula: C22H26N3O3+ MolecularWeight: 380.46014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CC[NH+](CC2)CCCON3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC=C(C=C1)N2CC[NH+](CC2)CCCON3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H25N3O3/c1-17-7-9-18(10-8-17)24-14-12-23(13-15-24)11-4-16-28-25-21(26)19-5-2-3-6-20(19)22(25)27/h2-3,5-10H,4,11-16H2,1H3/p+1