2-[1-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidin-4-ylidene]ethanoate

Systemtic Name: 2-[1-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidin-4-ylidene]ethanoate Openeye Name: 2-[1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-4-piperidylidene]acetate CAS Name: 2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-4-piperidinylidene]acetate IUPAC Name: 2-[1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidin-4-ylidene]acetate Traditional Name: 2-[1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-4-piperidylidene]acetate Formula: C13H12ClF3N2O2 MolecularWeight: 320.69479

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1=CC(=O)[O-])C2=C(C=C(C=[NH+]2)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CCC1=CC(=O)[O-])C2=C(C=C(C=[NH+]2)C(F)(F)F)Cl

InChI

InChI=1S/C13H12ClF3N2O2/c14-10-6-9(13(15,16)17)7-18-12(10)19-3-1-8(2-4-19)5-11(20)21/h5-7H,1-4H2,(H,20,21)