N-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]-1-methyl-piperidin-1-ium-4-amine

Systemtic Name: N-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]-1-methyl-piperidin-1-ium-4-amine Openeye Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-methyl-piperidin-1-ium-4-amine CAS Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-methyl-4-piperidin-1-iumamine IUPAC Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-methylpiperidin-1-ium-4-amine Traditional Name: (2,2-difluoro-1,3-benzodioxol-5-yl)-(1-methylpiperidin-1-ium-4-yl)amine Formula: C13H17F2N2O2+ MolecularWeight: 271.283086

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)NC2=CC3=C(C=C2)OC(O3)(F)F

Isomeric SMILES

C[NH+]1CCC(CC1)NC2=CC3=C(C=C2)OC(O3)(F)F

InChI

InChI=1S/C13H16F2N2O2/c1-17-6-4-9(5-7-17)16-10-2-3-11-12(8-10)19-13(14,15)18-11/h2-3,8-9,16H,4-7H2,1H3/p+1