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

Systemtic Name: 3-[2-(4-chloranylphenoxy)ethanoyl-(4-fluoranyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[[2-(4-chlorophenoxy)acetyl]-(4-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[2-(4-chlorophenoxy)-1-oxoethyl]-(4-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[[2-(4-chlorophenoxy)acetyl]-(4-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[[2-(4-chlorophenoxy)acetyl]-(4-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C20H22ClFN3O2S+ MolecularWeight: 422.923983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(C1=NC2=C(C=CC=C2S1)F)C(=O)COC3=CC=C(C=C3)Cl

Isomeric SMILES

C[NH+](C)CCCN(C1=NC2=C(C=CC=C2S1)F)C(=O)COC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H21ClFN3O2S/c1-24(2)11-4-12-25(18(26)13-27-15-9-7-14(21)8-10-15)20-23-19-16(22)5-3-6-17(19)28-20/h3,5-10H,4,11-13H2,1-2H3/p+1