tert-butyl [4-[fluoranyl-(1-methylpyridin-1-ium-2-yl)carbonyl-amino]phenyl] carbonate bromide

Systemtic Name: tert-butyl [4-[fluoranyl-(1-methylpyridin-1-ium-2-yl)carbonyl-amino]phenyl] carbonate bromide Openeye Name: tert-butyl [4-[fluoro-(1-methylpyridin-1-ium-2-carbonyl)amino]phenyl] carbonate bromide CAS Name: carbonic acid tert-butyl [4-[fluoro-[(1-methyl-2-pyridin-1-iumyl)-oxomethyl]amino]phenyl] ester bromide IUPAC Name: tert-butyl [4-[fluoro-(1-methylpyridin-1-ium-2-carbonyl)amino]phenyl] carbonate bromide Traditional Name: carbonic acid tert-butyl [4-[fluoro-(1-methylpyridin-1-ium-2-carbonyl)amino]phenyl] ester bromide Formula: C18H20BrFN2O4 MolecularWeight: 427.264803

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)OC1=CC=C(C=C1)N(C(=O)C2=CC=CC=[N+]2C)F.[Br-]

Isomeric SMILES

CC(C)(C)OC(=O)OC1=CC=C(C=C1)N(C(=O)C2=CC=CC=[N+]2C)F.[Br-]

InChI

InChI=1S/C18H20FN2O4.BrH/c1-18(2,3)25-17(23)24-14-10-8-13(9-11-14)21(19)16(22)15-7-5-6-12-20(15)4;/h5-12H,1-4H3;1H/q+1;/p-1