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

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide Formula: C15H19F2N2O3+ MolecularWeight: 313.319766

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(=O)NC2=CC3=C(C=C2)OC(O3)(F)F

Isomeric SMILES

C1CCC[NH+](CC1)CC(=O)NC2=CC3=C(C=C2)OC(O3)(F)F

InChI

InChI=1S/C15H18F2N2O3/c16-15(17)21-12-6-5-11(9-13(12)22-15)18-14(20)10-19-7-3-1-2-4-8-19/h5-6,9H,1-4,7-8,10H2,(H,18,20)/p+1