2-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-ium-1-yl]-N-(2-iodanylphenyl)ethanamide

Systemtic Name: 2-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-ium-1-yl]-N-(2-iodanylphenyl)ethanamide Openeye Name: 2-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-1-ium-1-yl]-N-(2-iodophenyl)acetamide CAS Name: 2-[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazin-1-iumyl]-N-(2-iodophenyl)acetamide IUPAC Name: 2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-ium-1-yl]-N-(2-iodophenyl)acetamide Traditional Name: 2-[4-(2-chloro-6-fluoro-benzyl)piperazin-1-ium-1-yl]-N-(2-iodophenyl)acetamide Formula: C19H21ClFIN3O+ MolecularWeight: 488.745413

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2I)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2I)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C19H20ClFIN3O/c20-15-4-3-5-16(21)14(15)12-24-8-10-25(11-9-24)13-19(26)23-18-7-2-1-6-17(18)22/h1-7H,8-13H2,(H,23,26)/p+1