tert-butyl 1-[fluoranyl-(4-methoxycarbonyl-2-methyl-phenoxy)methyl]pyrrolidin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 1-[fluoranyl-(4-methoxycarbonyl-2-methyl-phenoxy)methyl]pyrrolidin-1-ium-1-carboxylate Openeye Name: tert-butyl 1-[fluoro-(4-methoxycarbonyl-2-methyl-phenoxy)methyl]pyrrolidin-1-ium-1-carboxylate CAS Name: 1-[fluoro-(4-methoxycarbonyl-2-methylphenoxy)methyl]-1-pyrrolidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[fluoro-(4-methoxycarbonyl-2-methylphenoxy)methyl]pyrrolidin-1-ium-1-carboxylate Traditional Name: 1-[(4-carbomethoxy-2-methyl-phenoxy)-fluoro-methyl]pyrrolidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C19H27FNO5+ MolecularWeight: 368.419783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC)OC([N+]2(CCCC2)C(=O)OC(C)(C)C)F

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC)OC([N+]2(CCCC2)C(=O)OC(C)(C)C)F

InChI

InChI=1S/C19H27FNO5/c1-13-12-14(16(22)24-5)8-9-15(13)25-17(20)21(10-6-7-11-21)18(23)26-19(2,3)4/h8-9,12,17H,6-7,10-11H2,1-5H3/q+1