2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-(2-fluoranyl-4-methyl-phenyl)ethanamide

Systemtic Name: 2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-(2-fluoranyl-4-methyl-phenyl)ethanamide Openeye Name: 2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-(2-fluoro-4-methyl-phenyl)acetamide CAS Name: 2-[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]-N-(2-fluoro-4-methylphenyl)acetamide IUPAC Name: 2-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]-N-(2-fluoro-4-methylphenyl)acetamide Traditional Name: 2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-(2-fluoro-4-methyl-phenyl)acetamide Formula: C20H24ClFN3O+ MolecularWeight: 376.875463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=C(C=CC(=C3)Cl)C)F

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=C(C=CC(=C3)Cl)C)F

InChI

InChI=1S/C20H23ClFN3O/c1-14-3-6-18(17(22)11-14)23-20(26)13-24-7-9-25(10-8-24)19-12-16(21)5-4-15(19)2/h3-6,11-12H,7-10,13H2,1-2H3,(H,23,26)/p+1