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

Systemtic Name: (3S)-N-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)piperidin-1-ium-3-carboxamide Formula: C13H15F2N2O3+ MolecularWeight: 285.266606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14F2N2O3/c14-13(15)19-10-4-3-9(6-11(10)20-13)17-12(18)8-2-1-5-16-7-8/h3-4,6,8,16H,1-2,5,7H2,(H,17,18)/p+1/t8-/m0/s1