3-[2-(4-chloranylphenoxy)ethanoyl-(6-fluoranyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[2-(4-chloranylphenoxy)ethanoyl-(6-fluoranyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[[2-(4-chlorophenoxy)acetyl]-(6-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[2-(4-chlorophenoxy)-1-oxoethyl]-(6-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[[2-(4-chlorophenoxy)acetyl]-(6-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[[2-(4-chlorophenoxy)acetyl]-(6-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C20H22ClFN3O2S+ MolecularWeight: 422.923983

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(C1=NC2=C(S1)C=C(C=C2)F)C(=O)COC3=CC=C(C=C3)Cl

Isomeric SMILES

C[NH+](C)CCCN(C1=NC2=C(S1)C=C(C=C2)F)C(=O)COC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H21ClFN3O2S/c1-24(2)10-3-11-25(19(26)13-27-16-7-4-14(21)5-8-16)20-23-17-9-6-15(22)12-18(17)28-20/h4-9,12H,3,10-11,13H2,1-2H3/p+1