2-[1,3-benzothiazol-2-yl-[2-(4-fluorophenyl)sulfanylethanoyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[1,3-benzothiazol-2-yl-[2-(4-fluorophenyl)sulfanylethanoyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[1,3-benzothiazol-2-yl-[2-(4-fluorophenyl)sulfanylacetyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[1,3-benzothiazol-2-yl-[2-[(4-fluorophenyl)thio]-1-oxoethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[1,3-benzothiazol-2-yl-[2-(4-fluorophenyl)sulfanylacetyl]amino]ethyl-dimethylazanium Traditional Name: 2-[1,3-benzothiazol-2-yl-[2-[(4-fluorophenyl)thio]acetyl]amino]ethyl-dimethyl-ammonium Formula: C19H21FN3OS2+ MolecularWeight: 390.517943

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(C1=NC2=CC=CC=C2S1)C(=O)CSC3=CC=C(C=C3)F

Isomeric SMILES

C[NH+](C)CCN(C1=NC2=CC=CC=C2S1)C(=O)CSC3=CC=C(C=C3)F

InChI

InChI=1S/C19H20FN3OS2/c1-22(2)11-12-23(19-21-16-5-3-4-6-17(16)26-19)18(24)13-25-15-9-7-14(20)8-10-15/h3-10H,11-13H2,1-2H3/p+1