3-[1-benzofuran-2-ylcarbonyl-[4,6-bis(fluoranyl)-1,3-benzothiazol-2-yl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[1-benzofuran-2-ylcarbonyl-[4,6-bis(fluoranyl)-1,3-benzothiazol-2-yl]amino]propyl-dimethyl-azanium Openeye Name: 3-[benzofuran-2-carbonyl-(4,6-difluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[2-benzofuranyl(oxo)methyl]-(4,6-difluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[1-benzofuran-2-carbonyl-(4,6-difluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[benzofuran-2-carbonyl-(4,6-difluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C21H20F2N3O2S+ MolecularWeight: 416.464206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(C1=NC2=C(C=C(C=C2S1)F)F)C(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

C[NH+](C)CCCN(C1=NC2=C(C=C(C=C2S1)F)F)C(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C21H19F2N3O2S/c1-25(2)8-5-9-26(20(27)17-10-13-6-3-4-7-16(13)28-17)21-24-19-15(23)11-14(22)12-18(19)29-21/h3-4,6-7,10-12H,5,8-9H2,1-2H3/p+1