ethyl 2-[1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-1-ium-2-yl]ethanoate

Systemtic Name: ethyl 2-[1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-1-ium-2-yl]ethanoate Openeye Name: ethyl 2-[1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-1-ium-2-yl]acetate CAS Name: 2-[1-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridin-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-1-ium-2-yl]acetate Traditional Name: 2-[1-[4-(trifluoromethyl)benzyl]pyridin-1-ium-2-yl]acetic acid ethyl ester Formula: C17H17F3NO2+ MolecularWeight: 324.31759

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CC=CC=[N+]1CC2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CCOC(=O)CC1=CC=CC=[N+]1CC2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C17H17F3NO2/c1-2-23-16(22)11-15-5-3-4-10-21(15)12-13-6-8-14(9-7-13)17(18,19)20/h3-10H,2,11-12H2,1H3/q+1