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

Systemtic Name: 2-[4-azanyl-5-(ethoxymethyl)-2-methyl-pyrimidin-1-ium-1-yl]-1-phenyl-ethanone bromide Openeye Name: 2-[4-amino-5-(ethoxymethyl)-2-methyl-pyrimidin-1-ium-1-yl]-1-phenyl-ethanone bromide CAS Name: 2-[4-amino-5-(ethoxymethyl)-2-methyl-1-pyrimidin-1-iumyl]-1-phenylethanone bromide IUPAC Name: 2-[4-amino-5-(ethoxymethyl)-2-methylpyrimidin-1-ium-1-yl]-1-phenylethanone bromide Traditional Name: 2-[4-amino-5-(ethoxymethyl)-2-methyl-pyrimidin-1-ium-1-yl]-1-phenyl-ethanone bromide Formula: C16H20BrN3O2 MolecularWeight: 366.2529

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=C[N+](=C(N=C1N)C)CC(=O)C2=CC=CC=C2.[Br-]

Isomeric SMILES

CCOCC1=C[N+](=C(N=C1N)C)CC(=O)C2=CC=CC=C2.[Br-]

InChI

InChI=1S/C16H19N3O2.BrH/c1-3-21-11-14-9-19(12(2)18-16(14)17)10-15(20)13-7-5-4-6-8-13;/h4-9,17H,3,10-11H2,1-2H3;1H