2-[1-benzofuran-2-ylcarbonyl-(4-chloranyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[1-benzofuran-2-ylcarbonyl-(4-chloranyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[benzofuran-2-carbonyl-(4-chloro-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[2-benzofuranyl(oxo)methyl]-(4-chloro-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[1-benzofuran-2-carbonyl-(4-chloro-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[benzofuran-2-carbonyl-(4-chloro-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C20H19ClN3O2S+ MolecularWeight: 400.90176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(C1=NC2=C(S1)C=CC=C2Cl)C(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

C[NH+](C)CCN(C1=NC2=C(S1)C=CC=C2Cl)C(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C20H18ClN3O2S/c1-23(2)10-11-24(20-22-18-14(21)7-5-9-17(18)27-20)19(25)16-12-13-6-3-4-8-15(13)26-16/h3-9,12H,10-11H2,1-2H3/p+1