2-methyl-2-[4-piperazin-1-yl-4-[3-(trifluoromethyl)phenyl]but-2-ynyl]isoindol-2-ium-1,3-dione

Systemtic Name: 2-methyl-2-[4-piperazin-1-yl-4-[3-(trifluoromethyl)phenyl]but-2-ynyl]isoindol-2-ium-1,3-dione Openeye Name: 2-methyl-2-[4-piperazin-1-yl-4-[3-(trifluoromethyl)phenyl]but-2-ynyl]isoindolin-2-ium-1,3-dione CAS Name: 2-methyl-2-[4-(1-piperazinyl)-4-[3-(trifluoromethyl)phenyl]but-2-ynyl]isoindol-2-ium-1,3-dione IUPAC Name: 2-methyl-2-[4-piperazin-1-yl-4-[3-(trifluoromethyl)phenyl]but-2-ynyl]isoindol-2-ium-1,3-dione Traditional Name: 2-methyl-2-[4-piperazino-4-[3-(trifluoromethyl)phenyl]but-2-ynyl]isoindolin-2-ium-1,3-quinone Formula: C24H23F3N3O2+ MolecularWeight: 442.45353

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C(=O)C2=CC=CC=C2C1=O)CC#CC(C3=CC(=CC=C3)C(F)(F)F)N4CCNCC4

Isomeric SMILES

C[N+]1(C(=O)C2=CC=CC=C2C1=O)CC#CC(C3=CC(=CC=C3)C(F)(F)F)N4CCNCC4

InChI

InChI=1S/C24H23F3N3O2/c1-30(22(31)19-8-2-3-9-20(19)23(30)32)15-5-10-21(29-13-11-28-12-14-29)17-6-4-7-18(16-17)24(25,26)27/h2-4,6-9,16,21,28H,11-15H2,1H3/q+1