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

Systemtic Name: 3-[1,3-benzothiazol-2-yl-[2-(4-fluorophenyl)sulfanylethanoyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[1,3-benzothiazol-2-yl-[2-(4-fluorophenyl)sulfanylacetyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[1,3-benzothiazol-2-yl-[2-[(4-fluorophenyl)thio]-1-oxoethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[1,3-benzothiazol-2-yl-[2-(4-fluorophenyl)sulfanylacetyl]amino]propyl-dimethylazanium Traditional Name: 3-[1,3-benzothiazol-2-yl-[2-[(4-fluorophenyl)thio]acetyl]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=CC=CC=C2S1)C(=O)CSC3=CC=C(C=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C20H22FN3OS2/c1-23(2)12-5-13-24(20-22-17-6-3-4-7-18(17)27-20)19(25)14-26-16-10-8-15(21)9-11-16/h3-4,6-11H,5,12-14H2,1-2H3/p+1