3-[2-(4-fluorophenyl)sulfanylethanoyl-(6-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[2-(4-fluorophenyl)sulfanylethanoyl-(6-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[[2-(4-fluorophenyl)sulfanylacetyl]-(6-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[2-[(4-fluorophenyl)thio]-1-oxoethyl]-(6-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[[2-(4-fluorophenyl)sulfanylacetyl]-(6-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[[2-[(4-fluorophenyl)thio]acetyl]-(6-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=CC2=C(C=C1)N=C(S2)N(CCC[NH+](C)C)C(=O)CSC3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N(CCC[NH+](C)C)C(=O)CSC3=CC=C(C=C3)F

InChI

InChI=1S/C21H24FN3OS2/c1-15-5-10-18-19(13-15)28-21(23-18)25(12-4-11-24(2)3)20(26)14-27-17-8-6-16(22)7-9-17/h5-10,13H,4,11-12,14H2,1-3H3/p+1