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

Systemtic Name: 3-[(6-fluoranyl-1,3-benzothiazol-2-yl)-(3-methylsulfanylphenyl)carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[(6-fluoro-1,3-benzothiazol-2-yl)-(3-methylsulfanylbenzoyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(6-fluoro-1,3-benzothiazol-2-yl)-[[3-(methylthio)phenyl]-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(6-fluoro-1,3-benzothiazol-2-yl)-(3-methylsulfanylbenzoyl)amino]propyl-dimethylazanium Traditional Name: 3-[(6-fluoro-1,3-benzothiazol-2-yl)-[3-(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=C3)SC

Isomeric SMILES

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

InChI

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