1-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]-2-phenoxy-ethanone

Systemtic Name: 1-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]-2-phenoxy-ethanone CAS Name: 1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]-2-phenoxyethanone IUPAC Name: 1-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]-2-phenoxyethanone Traditional Name: 1-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]-2-phenoxy-ethanone Formula: C18H18ClF3N3O2+ MolecularWeight: 400.80263

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=[NH+]2)C(F)(F)F)Cl)C(=O)COC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=[NH+]2)C(F)(F)F)Cl)C(=O)COC3=CC=CC=C3

InChI

InChI=1S/C18H17ClF3N3O2/c19-15-10-13(18(20,21)22)11-23-17(15)25-8-6-24(7-9-25)16(26)12-27-14-4-2-1-3-5-14/h1-5,10-11H,6-9,12H2/p+1