2-[[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazin-1-iumyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]isoindoline-1,3-quinone Formula: C19H19F3N4O2+2 MolecularWeight: 392.37497

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC=C3C2=O)C4=[NH+]C=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC=C3C2=O)C4=[NH+]C=C(C=C4)C(F)(F)F

InChI

InChI=1S/C19H17F3N4O2/c20-19(21,22)13-5-6-16(23-11-13)25-9-7-24(8-10-25)12-26-17(27)14-3-1-2-4-15(14)18(26)28/h1-6,11H,7-10,12H2/p+2