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

Systemtic Name: 2-[4-azanyl-5-(bromomethyl)-2-methyl-pyrimidin-1-ium-1-yl]-1-(4-methoxyphenyl)ethanone bromide Openeye Name: 2-[4-amino-5-(bromomethyl)-2-methyl-pyrimidin-1-ium-1-yl]-1-(4-methoxyphenyl)ethanone bromide CAS Name: 2-[4-amino-5-(bromomethyl)-2-methyl-1-pyrimidin-1-iumyl]-1-(4-methoxyphenyl)ethanone bromide IUPAC Name: 2-[4-amino-5-(bromomethyl)-2-methylpyrimidin-1-ium-1-yl]-1-(4-methoxyphenyl)ethanone bromide Traditional Name: 2-[4-amino-5-(bromomethyl)-2-methyl-pyrimidin-1-ium-1-yl]-1-(4-methoxyphenyl)ethanone bromide Formula: C15H17Br2N3O2 MolecularWeight: 431.12238

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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)OC.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C15H16BrN3O2.BrH/c1-10-18-15(17)12(7-16)8-19(10)9-14(20)11-3-5-13(21-2)6-4-11;/h3-6,8,17H,7,9H2,1-2H3;1H