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

Systemtic Name: tert-butyl 2-[4-[(2-fluoranyl-4-methyl-phenoxy)methyl]pyridin-1-ium-1-yl]ethanoate Openeye Name: tert-butyl 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 tert-butyl ester IUPAC Name: tert-butyl 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 tert-butyl ester Formula: C19H23FNO3+ MolecularWeight: 332.389223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23FNO3/c1-14-5-6-17(16(20)11-14)23-13-15-7-9-21(10-8-15)12-18(22)24-19(2,3)4/h5-11H,12-13H2,1-4H3/q+1