N-(3-chloranyl-2-fluoranyl-phenyl)-2-piperazin-1-ium-1-yl-ethanamide

Systemtic Name: N-(3-chloranyl-2-fluoranyl-phenyl)-2-piperazin-1-ium-1-yl-ethanamide Openeye Name: N-(3-chloro-2-fluoro-phenyl)-2-piperazin-1-ium-1-yl-acetamide CAS Name: N-(3-chloro-2-fluorophenyl)-2-(1-piperazin-1-iumyl)acetamide IUPAC Name: N-(3-chloro-2-fluorophenyl)-2-piperazin-1-ium-1-ylacetamide Traditional Name: N-(3-chloro-2-fluoro-phenyl)-2-piperazin-1-ium-1-yl-acetamide Formula: C12H16ClFN3O+ MolecularWeight: 272.726343

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN1)CC(=O)NC2=C(C(=CC=C2)Cl)F

Isomeric SMILES

C1C[NH+](CCN1)CC(=O)NC2=C(C(=CC=C2)Cl)F

InChI

InChI=1S/C12H15ClFN3O/c13-9-2-1-3-10(12(9)14)16-11(18)8-17-6-4-15-5-7-17/h1-3,15H,4-8H2,(H,16,18)/p+1