tert-butyl [3-[(1-methylpyridin-1-ium-2-yl)carbonylamino]phenyl] carbonate bromide

Systemtic Name: tert-butyl [3-[(1-methylpyridin-1-ium-2-yl)carbonylamino]phenyl] carbonate bromide Openeye Name: tert-butyl [3-[(1-methylpyridin-1-ium-2-carbonyl)amino]phenyl] carbonate bromide CAS Name: carbonic acid tert-butyl [3-[[(1-methyl-2-pyridin-1-iumyl)-oxomethyl]amino]phenyl] ester bromide IUPAC Name: tert-butyl [3-[(1-methylpyridin-1-ium-2-carbonyl)amino]phenyl] carbonate bromide Traditional Name: carbonic acid tert-butyl [3-[(1-methylpyridin-1-ium-2-carbonyl)amino]phenyl] ester bromide Formula: C18H21BrN2O4 MolecularWeight: 409.27434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O4.BrH/c1-18(2,3)24-17(22)23-14-9-7-8-13(12-14)19-16(21)15-10-5-6-11-20(15)4;/h5-12H,1-4H3;1H