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

Systemtic Name: 1-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]indole-2,3-dione Openeye Name: 1-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]indoline-2,3-dione CAS Name: 1-[[4-[3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]methyl]indole-2,3-dione IUPAC Name: 1-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]indole-2,3-dione Traditional Name: 1-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]isatin Formula: C20H19F3N3O2+ MolecularWeight: 390.37897

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C3=CC=CC=C3C(=O)C2=O)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CN2C3=CC=CC=C3C(=O)C2=O)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C20H18F3N3O2/c21-20(22,23)14-4-3-5-15(12-14)25-10-8-24(9-11-25)13-26-17-7-2-1-6-16(17)18(27)19(26)28/h1-7,12H,8-11,13H2/p+1