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

Systemtic Name: 2-[4-azanyl-5-(ethoxymethyl)-2-methyl-pyrimidin-1-ium-1-yl]-1-(4-methoxyphenyl)ethanone bromide Openeye Name: 2-[4-amino-5-(ethoxymethyl)-2-methyl-pyrimidin-1-ium-1-yl]-1-(4-methoxyphenyl)ethanone bromide CAS Name: 2-[4-amino-5-(ethoxymethyl)-2-methyl-1-pyrimidin-1-iumyl]-1-(4-methoxyphenyl)ethanone bromide IUPAC Name: 2-[4-amino-5-(ethoxymethyl)-2-methylpyrimidin-1-ium-1-yl]-1-(4-methoxyphenyl)ethanone bromide Traditional Name: 2-[4-amino-5-(ethoxymethyl)-2-methyl-pyrimidin-1-ium-1-yl]-1-(4-methoxyphenyl)ethanone bromide Formula: C17H22BrN3O3 MolecularWeight: 396.27888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O3.BrH/c1-4-23-11-14-9-20(12(2)19-17(14)18)10-16(21)13-5-7-15(22-3)8-6-13;/h5-9,18H,4,10-11H2,1-3H3;1H