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

Systemtic Name: 3-[1-benzofuran-2-ylcarbonyl-(4-chloranyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[benzofuran-2-carbonyl-(4-chloro-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[2-benzofuranyl(oxo)methyl]-(4-chloro-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[1-benzofuran-2-carbonyl-(4-chloro-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[benzofuran-2-carbonyl-(4-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=CC=C2Cl)C(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

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

InChI

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