N-(3-chloranyl-4-fluoranyl-phenyl)-2-piperazin-1-ium-1-yl-ethanamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-2-piperazin-1-ium-1-yl-ethanamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-2-piperazin-1-ium-1-yl-acetamide CAS Name: N-(3-chloro-4-fluorophenyl)-2-(1-piperazin-1-iumyl)acetamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-2-piperazin-1-ium-1-ylacetamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-2-piperazin-1-ium-1-yl-acetamide Formula: C12H16ClFN3O+ MolecularWeight: 272.726343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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