2-[4-(4-chloranyl-2-fluoranyl-phenyl)carbonylpiperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)ethanamide

Systemtic Name: 2-[4-(4-chloranyl-2-fluoranyl-phenyl)carbonylpiperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)ethanamide Openeye Name: 2-[4-(4-chloro-2-fluoro-benzoyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-[4-[(4-chloro-2-fluorophenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[4-(4-chloro-2-fluoro-benzoyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide Formula: C21H24ClFN3O2+ MolecularWeight: 404.885563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClFN3O2/c1-14-4-3-5-15(2)20(14)24-19(27)13-25-8-10-26(11-9-25)21(28)17-7-6-16(22)12-18(17)23/h3-7,12H,8-11,13H2,1-2H3,(H,24,27)/p+1