methyl 1-[2-(2-fluoranyl-4-methyl-phenoxy)ethyl]pyridin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[2-(2-fluoranyl-4-methyl-phenoxy)ethyl]pyridin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-(2-fluoro-4-methyl-phenoxy)ethyl]pyridin-1-ium-4-carboxylate CAS Name: 1-[2-(2-fluoro-4-methylphenoxy)ethyl]-4-pyridin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(2-fluoro-4-methylphenoxy)ethyl]pyridin-1-ium-4-carboxylate Traditional Name: 1-[2-(2-fluoro-4-methyl-phenoxy)ethyl]pyridin-1-ium-4-carboxylic acid methyl ester Formula: C16H17FNO3+ MolecularWeight: 290.309483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC[N+]2=CC=C(C=C2)C(=O)OC)F

Isomeric SMILES

CC1=CC(=C(C=C1)OCC[N+]2=CC=C(C=C2)C(=O)OC)F

InChI

InChI=1S/C16H17FNO3/c1-12-3-4-15(14(17)11-12)21-10-9-18-7-5-13(6-8-18)16(19)20-2/h3-8,11H,9-10H2,1-2H3/q+1