2-[4-azanyl-5-(bromomethyl)-2-methyl-pyrimidin-1-ium-1-yl]-1-(4-iodophenyl)ethanone bromide

Systemtic Name: 2-[4-azanyl-5-(bromomethyl)-2-methyl-pyrimidin-1-ium-1-yl]-1-(4-iodophenyl)ethanone bromide Openeye Name: 2-[4-amino-5-(bromomethyl)-2-methyl-pyrimidin-1-ium-1-yl]-1-(4-iodophenyl)ethanone bromide CAS Name: 2-[4-amino-5-(bromomethyl)-2-methyl-1-pyrimidin-1-iumyl]-1-(4-iodophenyl)ethanone bromide IUPAC Name: 2-[4-amino-5-(bromomethyl)-2-methylpyrimidin-1-ium-1-yl]-1-(4-iodophenyl)ethanone bromide Traditional Name: 2-[4-amino-5-(bromomethyl)-2-methyl-pyrimidin-1-ium-1-yl]-1-(4-iodophenyl)ethanone bromide Formula: C14H14Br2IN3O MolecularWeight: 526.99293

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=C(C(=N1)N)CBr)CC(=O)C2=CC=C(C=C2)I.[Br-]

Isomeric SMILES

CC1=[N+](C=C(C(=N1)N)CBr)CC(=O)C2=CC=C(C=C2)I.[Br-]

InChI

InChI=1S/C14H13BrIN3O.BrH/c1-9-18-14(17)11(6-15)7-19(9)8-13(20)10-2-4-12(16)5-3-10;/h2-5,7,17H,6,8H2,1H3;1H