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

Systemtic Name: [1-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidin-4-yl] ethanoate Openeye Name: [1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-4-piperidyl] acetate CAS Name: acetic acid [1-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-4-piperidinyl] ester IUPAC Name: [1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidin-4-yl] acetate Traditional Name: acetic acid [1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-4-piperidyl] ester Formula: C13H15ClF3N2O2+ MolecularWeight: 323.71861

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCN(CC1)C2=C(C=C(C=[NH+]2)C(F)(F)F)Cl

Isomeric SMILES

CC(=O)OC1CCN(CC1)C2=C(C=C(C=[NH+]2)C(F)(F)F)Cl

InChI

InChI=1S/C13H14ClF3N2O2/c1-8(20)21-10-2-4-19(5-3-10)12-11(14)6-9(7-18-12)13(15,16)17/h6-7,10H,2-5H2,1H3/p+1