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

Systemtic Name: 3-[2-(4-fluorophenyl)sulfanylethanoyl-(4-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[[2-(4-fluorophenyl)sulfanylacetyl]-(4-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[2-[(4-fluorophenyl)thio]-1-oxoethyl]-(4-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[[2-(4-fluorophenyl)sulfanylacetyl]-(4-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[[2-[(4-fluorophenyl)thio]acetyl]-(4-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C21H25FN3OS2+ MolecularWeight: 418.571103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N(CCC[NH+](C)C)C(=O)CSC3=CC=C(C=C3)F

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N(CCC[NH+](C)C)C(=O)CSC3=CC=C(C=C3)F

InChI

InChI=1S/C21H24FN3OS2/c1-15-6-4-7-18-20(15)23-21(28-18)25(13-5-12-24(2)3)19(26)14-27-17-10-8-16(22)9-11-17/h4,6-11H,5,12-14H2,1-3H3/p+1