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

Systemtic Name: tert-butyl [4-[(1-methylpyridin-1-ium-2-yl)carbonyl-(trifluoromethyl)amino]phenyl] carbonate bromide Openeye Name: tert-butyl [4-[(1-methylpyridin-1-ium-2-carbonyl)-(trifluoromethyl)amino]phenyl] carbonate bromide CAS Name: carbonic acid tert-butyl [4-[[(1-methyl-2-pyridin-1-iumyl)-oxomethyl]-(trifluoromethyl)amino]phenyl] ester bromide IUPAC Name: tert-butyl [4-[(1-methylpyridin-1-ium-2-carbonyl)-(trifluoromethyl)amino]phenyl] carbonate bromide Traditional Name: carbonic acid tert-butyl [4-[(1-methylpyridin-1-ium-2-carbonyl)-(trifluoromethyl)amino]phenyl] ester bromide Formula: C19H20BrF3N2O4 MolecularWeight: 477.27231

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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)C(F)(F)F.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C19H20F3N2O4.BrH/c1-18(2,3)28-17(26)27-14-10-8-13(9-11-14)24(19(20,21)22)16(25)15-7-5-6-12-23(15)4;/h5-12H,1-4H3;1H/q+1;/p-1