methyl-[3-methyl-6-(trifluoromethyloxy)-1,3-benzothiazol-2-ylidene]-prop-2-ynyl-azanium iodide

Systemtic Name: methyl-[3-methyl-6-(trifluoromethyloxy)-1,3-benzothiazol-2-ylidene]-prop-2-ynyl-azanium iodide Openeye Name: methyl-[3-methyl-6-(trifluoromethoxy)-1,3-benzothiazol-2-ylidene]-prop-2-ynyl-ammonium iodide CAS Name: methyl-[3-methyl-6-(trifluoromethoxy)-1,3-benzothiazol-2-ylidene]-prop-2-ynylammonium iodide IUPAC Name: methyl-[3-methyl-6-(trifluoromethoxy)-1,3-benzothiazol-2-ylidene]-prop-2-ynylazanium iodide Traditional Name: methyl-[3-methyl-6-(trifluoromethoxy)-1,3-benzothiazol-2-ylidene]-propargyl-ammonium iodide Formula: C13H12F3IN2OS MolecularWeight: 428.21186

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)OC(F)(F)F)SC1=[N+](C)CC#C.[I-]

Isomeric SMILES

CN1C2=C(C=C(C=C2)OC(F)(F)F)SC1=[N+](C)CC#C.[I-]

InChI

InChI=1S/C13H12F3N2OS.HI/c1-4-7-17(2)12-18(3)10-6-5-9(8-11(10)20-12)19-13(14,15)16;/h1,5-6,8H,7H2,2-3H3;1H/q+1;/p-1