1-[2-oxidanylidene-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]ethyl]cinnolin-4-one

Systemtic Name: 1-[2-oxidanylidene-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]ethyl]cinnolin-4-one Openeye Name: 1-[2-oxo-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]ethyl]cinnolin-4-one CAS Name: 1-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]ethyl]-4-cinnolinone IUPAC Name: 1-[2-oxo-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]ethyl]cinnolin-4-one Traditional Name: 1-[2-keto-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]ethyl]cinnolin-4-one Formula: C20H19F3N5O2+ MolecularWeight: 418.39237

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=[NH+]C=C(C=C2)C(F)(F)F)C(=O)CN3C4=CC=CC=C4C(=O)C=N3

Isomeric SMILES

C1CN(CCN1C2=[NH+]C=C(C=C2)C(F)(F)F)C(=O)CN3C4=CC=CC=C4C(=O)C=N3

InChI

InChI=1S/C20H18F3N5O2/c21-20(22,23)14-5-6-18(24-11-14)26-7-9-27(10-8-26)19(30)13-28-16-4-2-1-3-15(16)17(29)12-25-28/h1-6,11-12H,7-10,13H2/p+1