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

Systemtic Name: 2-[4-azanyl-5-(ethoxymethyl)-2-methyl-pyrimidin-1-ium-1-yl]-1-(4-nitrophenyl)ethanone bromide Openeye Name: 2-[4-amino-5-(ethoxymethyl)-2-methyl-pyrimidin-1-ium-1-yl]-1-(4-nitrophenyl)ethanone bromide CAS Name: 2-[4-amino-5-(ethoxymethyl)-2-methyl-1-pyrimidin-1-iumyl]-1-(4-nitrophenyl)ethanone bromide IUPAC Name: 2-[4-amino-5-(ethoxymethyl)-2-methylpyrimidin-1-ium-1-yl]-1-(4-nitrophenyl)ethanone bromide Traditional Name: 2-[4-amino-5-(ethoxymethyl)-2-methyl-pyrimidin-1-ium-1-yl]-1-(4-nitrophenyl)ethanone bromide Formula: C16H19BrN4O4 MolecularWeight: 411.25046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O4.BrH/c1-3-24-10-13-8-19(11(2)18-16(13)17)9-15(21)12-4-6-14(7-5-12)20(22)23;/h4-8,17H,3,9-10H2,1-2H3;1H