1-phenyl-4-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]butane-1,4-dione

Systemtic Name: 1-phenyl-4-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]butane-1,4-dione Openeye Name: 1-phenyl-4-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]butane-1,4-dione CAS Name: 1-phenyl-4-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-phenyl-4-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]butane-1,4-dione Traditional Name: 1-phenyl-4-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]butane-1,4-dione Formula: C20H21F3N3O2+ MolecularWeight: 392.39485

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=[NH+]C=C(C=C2)C(F)(F)F)C(=O)CCC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=[NH+]C=C(C=C2)C(F)(F)F)C(=O)CCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H20F3N3O2/c21-20(22,23)16-6-8-18(24-14-16)25-10-12-26(13-11-25)19(28)9-7-17(27)15-4-2-1-3-5-15/h1-6,8,14H,7,9-13H2/p+1