N-(2-chloranylpyridin-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(2-chloranylpyridin-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(2-chloro-3-pyridyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(2-chloro-3-pyridinyl)-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-chloropyridin-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(2-chloro-3-pyridyl)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C15H18ClN6O+ MolecularWeight: 333.79602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17ClN6O/c16-14-12(3-1-4-17-14)20-13(23)11-21-7-9-22(10-8-21)15-18-5-2-6-19-15/h1-6H,7-11H2,(H,20,23)/p+1