4-(4-propan-2-ylpiperazin-4-ium-1-yl)-2-[[3-(trifluoromethyl)phenyl]methyl]isoindole-1,3-dione

Systemtic Name: 4-(4-propan-2-ylpiperazin-4-ium-1-yl)-2-[[3-(trifluoromethyl)phenyl]methyl]isoindole-1,3-dione Openeye Name: 4-(4-isopropylpiperazin-4-ium-1-yl)-2-[[3-(trifluoromethyl)phenyl]methyl]isoindoline-1,3-dione CAS Name: 4-(4-propan-2-yl-1-piperazin-4-iumyl)-2-[[3-(trifluoromethyl)phenyl]methyl]isoindole-1,3-dione IUPAC Name: 4-(4-propan-2-ylpiperazin-4-ium-1-yl)-2-[[3-(trifluoromethyl)phenyl]methyl]isoindole-1,3-dione Traditional Name: 4-(4-isopropylpiperazin-4-ium-1-yl)-2-[3-(trifluoromethyl)benzyl]isoindoline-1,3-quinone Formula: C23H25F3N3O2+ MolecularWeight: 432.45871

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCN(CC1)C2=CC=CC3=C2C(=O)N(C3=O)CC4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

CC(C)[NH+]1CCN(CC1)C2=CC=CC3=C2C(=O)N(C3=O)CC4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C23H24F3N3O2/c1-15(2)27-9-11-28(12-10-27)19-8-4-7-18-20(19)22(31)29(21(18)30)14-16-5-3-6-17(13-16)23(24,25)26/h3-8,13,15H,9-12,14H2,1-2H3/p+1