(2R)-N-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2R)-N-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]pyrrolidin-1-ium-2-carboxamide Openeye Name: (2R)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2R)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2R)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrolidin-1-ium-2-carboxamide Traditional Name: (2R)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrolidin-1-ium-2-carboxamide Formula: C12H13F2N2O3+ MolecularWeight: 271.240026

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH2+]C1)C(=O)NC2=CC3=C(C=C2)OC(O3)(F)F

Isomeric SMILES

C1C[C@@H]([NH2+]C1)C(=O)NC2=CC3=C(C=C2)OC(O3)(F)F

InChI

InChI=1S/C12H12F2N2O3/c13-12(14)18-9-4-3-7(6-10(9)19-12)16-11(17)8-2-1-5-15-8/h3-4,6,8,15H,1-2,5H2,(H,16,17)/p+1/t8-/m1/s1