2-[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]carbamothioylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]carbamothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamothioylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamothioylamino]ethyl-dimethylazanium Traditional Name: 2-[(2,2-difluoro-1,3-benzodioxol-5-yl)thiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C12H16F2N3O2S+ MolecularWeight: 304.336146

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=S)NC1=CC2=C(C=C1)OC(O2)(F)F

Isomeric SMILES

C[NH+](C)CCNC(=S)NC1=CC2=C(C=C1)OC(O2)(F)F

InChI

InChI=1S/C12H15F2N3O2S/c1-17(2)6-5-15-11(20)16-8-3-4-9-10(7-8)19-12(13,14)18-9/h3-4,7H,5-6H2,1-2H3,(H2,15,16,20)/p+1