1-[1-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]pyridin-1-ium-3-yl]ethanone bromide hydrobromide

Systemtic Name: 1-[1-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]pyridin-1-ium-3-yl]ethanone bromide hydrobromide Openeye Name: 1-[1-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]pyridin-1-ium-3-yl]ethanone bromide hydrobromide CAS Name: 1-[1-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-3-pyridin-1-iumyl]ethanone bromide hydrobromide IUPAC Name: 1-[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]pyridin-1-ium-3-yl]ethanone bromide hydrobromide Traditional Name: 1-[1-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]pyridin-1-ium-3-yl]ethanone bromide hydrobromide Formula: C13H16Br2N4O MolecularWeight: 404.10034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=N1)N)C[N+]2=CC=CC(=C2)C(=O)C.Br.[Br-]

Isomeric SMILES

CC1=NC=C(C(=N1)N)C[N+]2=CC=CC(=C2)C(=O)C.Br.[Br-]

InChI

InChI=1S/C13H15N4O.2BrH/c1-9(18)11-4-3-5-17(7-11)8-12-6-15-10(2)16-13(12)14;;/h3-7H,8H2,1-2H3,(H2,14,15,16);2*1H/q+1;;/p-1