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

Systemtic Name: N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-methyl-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(2-chloro-6-fluoro-phenyl)methyl]-N-methyl-acetamide CAS Name: 2-(4-benzoyl-1-piperazin-1-iumyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide IUPAC Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide Traditional Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2-chloro-6-fluoro-benzyl)-N-methyl-acetamide Formula: C21H24ClFN3O2+ MolecularWeight: 404.885563

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC=C1Cl)F)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CN(CC1=C(C=CC=C1Cl)F)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H23ClFN3O2/c1-24(14-17-18(22)8-5-9-19(17)23)20(27)15-25-10-12-26(13-11-25)21(28)16-6-3-2-4-7-16/h2-9H,10-15H2,1H3/p+1