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

Systemtic Name: 3-[2-(4-fluorophenyl)ethanoyl-(4-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[[2-(4-fluorophenyl)acetyl]-(4-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[2-(4-fluorophenyl)-1-oxoethyl]-(4-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[[2-(4-fluorophenyl)acetyl]-(4-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[[2-(4-fluorophenyl)acetyl]-(4-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C21H25FN3O2S+ MolecularWeight: 402.505503

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(C1=NC2=C(C=CC=C2S1)OC)C(=O)CC3=CC=C(C=C3)F

Isomeric SMILES

C[NH+](C)CCCN(C1=NC2=C(C=CC=C2S1)OC)C(=O)CC3=CC=C(C=C3)F

InChI

InChI=1S/C21H24FN3O2S/c1-24(2)12-5-13-25(19(26)14-15-8-10-16(22)11-9-15)21-23-20-17(27-3)6-4-7-18(20)28-21/h4,6-11H,5,12-14H2,1-3H3/p+1