N-[3,5-bis(fluoranyl)phenyl]-2-piperazin-1-ium-1-yl-ethanamide

Systemtic Name: N-[3,5-bis(fluoranyl)phenyl]-2-piperazin-1-ium-1-yl-ethanamide Openeye Name: N-(3,5-difluorophenyl)-2-piperazin-1-ium-1-yl-acetamide CAS Name: N-(3,5-difluorophenyl)-2-(1-piperazin-1-iumyl)acetamide IUPAC Name: N-(3,5-difluorophenyl)-2-piperazin-1-ium-1-ylacetamide Traditional Name: N-(3,5-difluorophenyl)-2-piperazin-1-ium-1-yl-acetamide Formula: C12H16F2N3O+ MolecularWeight: 256.271746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15F2N3O/c13-9-5-10(14)7-11(6-9)16-12(18)8-17-3-1-15-2-4-17/h5-7,15H,1-4,8H2,(H,16,18)/p+1