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

Systemtic Name: 3-[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[(2,2-difluoro-1,3-benzodioxol-5-yl)thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C13H18F2N3O2S+ MolecularWeight: 318.362726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17F2N3O2S/c1-18(2)7-3-6-16-12(21)17-9-4-5-10-11(8-9)20-13(14,15)19-10/h4-5,8H,3,6-7H2,1-2H3,(H2,16,17,21)/p+1