3-[1-benzofuran-2-ylcarbonyl-(6-chloranyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[1-benzofuran-2-ylcarbonyl-(6-chloranyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[benzofuran-2-carbonyl-(6-chloro-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[2-benzofuranyl(oxo)methyl]-(6-chloro-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[1-benzofuran-2-carbonyl-(6-chloro-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[benzofuran-2-carbonyl-(6-chloro-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C21H21ClN3O2S+ MolecularWeight: 414.92834

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(C1=NC2=C(S1)C=C(C=C2)Cl)C(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

C[NH+](C)CCCN(C1=NC2=C(S1)C=C(C=C2)Cl)C(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C21H20ClN3O2S/c1-24(2)10-5-11-25(21-23-16-9-8-15(22)13-19(16)28-21)20(26)18-12-14-6-3-4-7-17(14)27-18/h3-4,6-9,12-13H,5,10-11H2,1-2H3/p+1