2-[(2R)-1-[(4-chloranyl-3-fluoranyl-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-ethyl-N-methyl-ethanamide

Systemtic Name: 2-[(2R)-1-[(4-chloranyl-3-fluoranyl-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-ethyl-N-methyl-ethanamide Openeye Name: 2-[(2R)-1-[(4-chloro-3-fluoro-phenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-ethyl-N-methyl-acetamide CAS Name: 2-[(2R)-1-[(4-chloro-3-fluorophenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-ethyl-N-methylacetamide IUPAC Name: 2-[(2R)-1-[(4-chloro-3-fluorophenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-ethyl-N-methylacetamide Traditional Name: 2-[(2R)-1-(4-chloro-3-fluoro-benzyl)-3-keto-piperazin-1-ium-2-yl]-N-ethyl-N-methyl-acetamide Formula: C16H22ClFN3O2+ MolecularWeight: 342.816183

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C)C(=O)CC1C(=O)NCC[NH+]1CC2=CC(=C(C=C2)Cl)F

Isomeric SMILES

CCN(C)C(=O)C[C@@H]1C(=O)NCC[NH+]1CC2=CC(=C(C=C2)Cl)F

InChI

InChI=1S/C16H21ClFN3O2/c1-3-20(2)15(22)9-14-16(23)19-6-7-21(14)10-11-4-5-12(17)13(18)8-11/h4-5,8,14H,3,6-7,9-10H2,1-2H3,(H,19,23)/p+1/t14-/m1/s1