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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N2O4.BrH/c1-18(2,3)23-17(22)24-20(14-10-6-5-7-11-14)16(21)15-12-8-9-13-19(15)4;/h5-13H,1-4H3;1H/q+1;/p-1