3-bromanyl-2-[(2-pyridin-2-ylpyridin-1-ium-1-yl)methyl]imidazo[1,2-a]pyrimidine bromide

Systemtic Name: 3-bromanyl-2-[(2-pyridin-2-ylpyridin-1-ium-1-yl)methyl]imidazo[1,2-a]pyrimidine bromide Openeye Name: 3-bromo-2-[[2-(2-pyridyl)pyridin-1-ium-1-yl]methyl]imidazo[1,2-a]pyrimidine bromide CAS Name: 3-bromo-2-[[2-(2-pyridinyl)-1-pyridin-1-iumyl]methyl]imidazo[1,2-a]pyrimidine bromide IUPAC Name: 3-bromo-2-[(2-pyridin-2-ylpyridin-1-ium-1-yl)methyl]imidazo[1,2-a]pyrimidine bromide Traditional Name: 3-bromo-2-[[2-(2-pyridyl)pyridin-1-ium-1-yl]methyl]imidazo[1,2-a]pyrimidine bromide Formula: C17H13Br2N5 MolecularWeight: 447.12662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C2=CC=CC=[N+]2CC3=C(N4C=CC=NC4=N3)Br.[Br-]

Isomeric SMILES

C1=CC=NC(=C1)C2=CC=CC=[N+]2CC3=C(N4C=CC=NC4=N3)Br.[Br-]

InChI

InChI=1S/C17H13BrN5.BrH/c18-16-14(21-17-20-9-5-11-23(16)17)12-22-10-4-2-7-15(22)13-6-1-3-8-19-13;/h1-11H,12H2;1H/q+1;/p-1