N-(2-ethanoylphenyl)-2-[4-(2-methoxyphenyl)pyrimidin-1-ium-1-yl]ethanamide bromide

Systemtic Name: N-(2-ethanoylphenyl)-2-[4-(2-methoxyphenyl)pyrimidin-1-ium-1-yl]ethanamide bromide Openeye Name: N-(2-acetylphenyl)-2-[4-(2-methoxyphenyl)pyrimidin-1-ium-1-yl]acetamide bromide CAS Name: N-(2-acetylphenyl)-2-[4-(2-methoxyphenyl)-1-pyrimidin-1-iumyl]acetamide bromide IUPAC Name: N-(2-acetylphenyl)-2-[4-(2-methoxyphenyl)pyrimidin-1-ium-1-yl]acetamide bromide Traditional Name: N-(2-acetylphenyl)-2-[4-(2-methoxyphenyl)pyrimidin-1-ium-1-yl]acetamide bromide Formula: C21H20BrN3O3 MolecularWeight: 442.3058

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1NC(=O)C[N+]2=CN=C(C=C2)C3=CC=CC=C3OC.[Br-]

Isomeric SMILES

CC(=O)C1=CC=CC=C1NC(=O)C[N+]2=CN=C(C=C2)C3=CC=CC=C3OC.[Br-]

InChI

InChI=1S/C21H19N3O3.BrH/c1-15(25)16-7-3-5-9-19(16)23-21(26)13-24-12-11-18(22-14-24)17-8-4-6-10-20(17)27-2;/h3-12,14H,13H2,1-2H3;1H