tert-butyl [2-methoxy-4-[(1-methylpyridin-1-ium-2-yl)carbonylamino]phenyl] carbonate bromide

Systemtic Name: tert-butyl [2-methoxy-4-[(1-methylpyridin-1-ium-2-yl)carbonylamino]phenyl] carbonate bromide Openeye Name: tert-butyl [2-methoxy-4-[(1-methylpyridin-1-ium-2-carbonyl)amino]phenyl] carbonate bromide CAS Name: carbonic acid tert-butyl [2-methoxy-4-[[(1-methyl-2-pyridin-1-iumyl)-oxomethyl]amino]phenyl] ester bromide IUPAC Name: tert-butyl [2-methoxy-4-[(1-methylpyridin-1-ium-2-carbonyl)amino]phenyl] carbonate bromide Traditional Name: carbonic acid tert-butyl [2-methoxy-4-[(1-methylpyridin-1-ium-2-carbonyl)amino]phenyl] ester bromide Formula: C19H23BrN2O5 MolecularWeight: 439.30032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O5.BrH/c1-19(2,3)26-18(23)25-15-10-9-13(12-16(15)24-5)20-17(22)14-8-6-7-11-21(14)4;/h6-12H,1-5H3;1H