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

Systemtic Name: 3-[1,3-benzothiazol-6-ylcarbonyl-(6-fluoranyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[1,3-benzothiazole-6-carbonyl-(6-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[1,3-benzothiazol-6-yl(oxo)methyl]-(6-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[1,3-benzothiazole-6-carbonyl-(6-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[1,3-benzothiazole-6-carbonyl-(6-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C20H20FN4OS2+ MolecularWeight: 415.527403

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(C1=NC2=C(S1)C=C(C=C2)F)C(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

C[NH+](C)CCCN(C1=NC2=C(S1)C=C(C=C2)F)C(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C20H19FN4OS2/c1-24(2)8-3-9-25(20-23-16-7-5-14(21)11-18(16)28-20)19(26)13-4-6-15-17(10-13)27-12-22-15/h4-7,10-12H,3,8-9H2,1-2H3/p+1