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

Systemtic Name: 2-[4-azanyl-5-(bromomethyl)-2-methyl-pyrimidin-1-ium-1-yl]-1-(4-iodophenyl)ethanone Openeye Name: 2-[4-amino-5-(bromomethyl)-2-methyl-pyrimidin-1-ium-1-yl]-1-(4-iodophenyl)ethanone CAS Name: 2-[4-amino-5-(bromomethyl)-2-methyl-1-pyrimidin-1-iumyl]-1-(4-iodophenyl)ethanone IUPAC Name: 2-[4-amino-5-(bromomethyl)-2-methylpyrimidin-1-ium-1-yl]-1-(4-iodophenyl)ethanone Traditional Name: 2-[4-amino-5-(bromomethyl)-2-methyl-pyrimidin-1-ium-1-yl]-1-(4-iodophenyl)ethanone Formula: C14H14BrIN3O+ MolecularWeight: 447.08893

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13BrIN3O/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/p+1