2-(2-phenylphenoxy)-1-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]ethanone

Systemtic Name: 2-(2-phenylphenoxy)-1-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]ethanone Openeye Name: 2-(2-phenylphenoxy)-1-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]ethanone CAS Name: 2-(2-phenylphenoxy)-1-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]ethanone IUPAC Name: 2-(2-phenylphenoxy)-1-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]ethanone Traditional Name: 2-(2-phenylphenoxy)-1-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]ethanone Formula: C24H23F3N3O2+ MolecularWeight: 442.45353

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=[NH+]C=C(C=C2)C(F)(F)F)C(=O)COC3=CC=CC=C3C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=[NH+]C=C(C=C2)C(F)(F)F)C(=O)COC3=CC=CC=C3C4=CC=CC=C4

InChI

InChI=1S/C24H22F3N3O2/c25-24(26,27)19-10-11-22(28-16-19)29-12-14-30(15-13-29)23(31)17-32-21-9-5-4-8-20(21)18-6-2-1-3-7-18/h1-11,16H,12-15,17H2/p+1