methyl 2-[4-[(2-fluoranyl-4-methyl-phenoxy)methyl]pyridin-1-ium-1-yl]ethanoate

Systemtic Name: methyl 2-[4-[(2-fluoranyl-4-methyl-phenoxy)methyl]pyridin-1-ium-1-yl]ethanoate Openeye Name: methyl 2-[4-[(2-fluoro-4-methyl-phenoxy)methyl]pyridin-1-ium-1-yl]acetate CAS Name: 2-[4-[(2-fluoro-4-methylphenoxy)methyl]-1-pyridin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[(2-fluoro-4-methylphenoxy)methyl]pyridin-1-ium-1-yl]acetate Traditional Name: 2-[4-[(2-fluoro-4-methyl-phenoxy)methyl]pyridin-1-ium-1-yl]acetic acid methyl ester Formula: C16H17FNO3+ MolecularWeight: 290.309483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC2=CC=[N+](C=C2)CC(=O)OC)F

Isomeric SMILES

CC1=CC(=C(C=C1)OCC2=CC=[N+](C=C2)CC(=O)OC)F

InChI

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