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

Systemtic Name: N-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]-2-piperazin-1-ium-1-yl-ethanamide Openeye Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-piperazin-1-ium-1-yl-acetamide CAS Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(1-piperazin-1-iumyl)acetamide IUPAC Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-piperazin-1-ium-1-ylacetamide Traditional Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-piperazin-1-ium-1-yl-acetamide Formula: C13H16F2N3O3+ MolecularWeight: 300.281246

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN1)CC(=O)NC2=CC3=C(C=C2)OC(O3)(F)F

Isomeric SMILES

C1C[NH+](CCN1)CC(=O)NC2=CC3=C(C=C2)OC(O3)(F)F

InChI

InChI=1S/C13H15F2N3O3/c14-13(15)20-10-2-1-9(7-11(10)21-13)17-12(19)8-18-5-3-16-4-6-18/h1-2,7,16H,3-6,8H2,(H,17,19)/p+1