N-(5-bromanylpyridin-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(5-bromanylpyridin-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(5-bromo-2-pyridyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(5-bromo-2-pyridinyl)-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(5-bromopyridin-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(5-bromo-2-pyridyl)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C15H18BrN6O+ MolecularWeight: 378.24702

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=NC=C(C=C2)Br)C3=NC=CC=N3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=NC=C(C=C2)Br)C3=NC=CC=N3

InChI

InChI=1S/C15H17BrN6O/c16-12-2-3-13(19-10-12)20-14(23)11-21-6-8-22(9-7-21)15-17-4-1-5-18-15/h1-5,10H,6-9,11H2,(H,19,20,23)/p+1