N-(3-chloranyl-4-fluoranyl-phenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(3-chloro-4-fluorophenyl)-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C16H18ClFN5O+ MolecularWeight: 350.798423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClFN5O/c17-13-10-12(2-3-14(13)18)21-15(24)11-22-6-8-23(9-7-22)16-19-4-1-5-20-16/h1-5,10H,6-9,11H2,(H,21,24)/p+1