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

Systemtic Name: tert-butyl [2-chloranyl-4-[(1-methylpyridin-1-ium-2-yl)carbonylamino]phenyl] carbonate bromide Openeye Name: tert-butyl [2-chloro-4-[(1-methylpyridin-1-ium-2-carbonyl)amino]phenyl] carbonate bromide CAS Name: carbonic acid tert-butyl [2-chloro-4-[[(1-methyl-2-pyridin-1-iumyl)-oxomethyl]amino]phenyl] ester bromide IUPAC Name: tert-butyl [2-chloro-4-[(1-methylpyridin-1-ium-2-carbonyl)amino]phenyl] carbonate bromide Traditional Name: carbonic acid tert-butyl [2-chloro-4-[(1-methylpyridin-1-ium-2-carbonyl)amino]phenyl] ester bromide Formula: C18H20BrClN2O4 MolecularWeight: 443.7194

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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)Cl.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN2O4.BrH/c1-18(2,3)25-17(23)24-15-9-8-12(11-13(15)19)20-16(22)14-7-5-6-10-21(14)4;/h5-11H,1-4H3;1H