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

Systemtic Name: ethyl 2-[1-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidin-4-ylidene]ethanoate Openeye Name: ethyl 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]acetic acid ethyl ester IUPAC Name: ethyl 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]acetic acid ethyl ester Formula: C15H17ClF3N2O2+ MolecularWeight: 349.75589

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C1CCN(CC1)C2=C(C=C(C=[NH+]2)C(F)(F)F)Cl

Isomeric SMILES

CCOC(=O)C=C1CCN(CC1)C2=C(C=C(C=[NH+]2)C(F)(F)F)Cl

InChI

InChI=1S/C15H16ClF3N2O2/c1-2-23-13(22)7-10-3-5-21(6-4-10)14-12(16)8-11(9-20-14)15(17,18)19/h7-9H,2-6H2,1H3/p+1