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

Systemtic Name: 3-[(6-fluoranyl-1,3-benzothiazol-2-yl)-(2-methylsulfanylphenyl)carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[(6-fluoro-1,3-benzothiazol-2-yl)-(2-methylsulfanylbenzoyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(6-fluoro-1,3-benzothiazol-2-yl)-[[2-(methylthio)phenyl]-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(6-fluoro-1,3-benzothiazol-2-yl)-(2-methylsulfanylbenzoyl)amino]propyl-dimethylazanium Traditional Name: 3-[(6-fluoro-1,3-benzothiazol-2-yl)-[2-(methylthio)benzoyl]amino]propyl-dimethyl-ammonium Formula: C20H23FN3OS2+ MolecularWeight: 404.544523

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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=CC=CC=C3SC

Isomeric SMILES

C[NH+](C)CCCN(C1=NC2=C(S1)C=C(C=C2)F)C(=O)C3=CC=CC=C3SC

InChI

InChI=1S/C20H22FN3OS2/c1-23(2)11-6-12-24(19(25)15-7-4-5-8-17(15)26-3)20-22-16-10-9-14(21)13-18(16)27-20/h4-5,7-10,13H,6,11-12H2,1-3H3/p+1