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

Systemtic Name: 2-[1-benzofuran-2-ylcarbonyl-(4-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[benzofuran-2-carbonyl-(4-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[2-benzofuranyl(oxo)methyl]-(4-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[1-benzofuran-2-carbonyl-(4-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[benzofuran-2-carbonyl-(4-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C21H22N3O3S+ MolecularWeight: 396.48268

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(C1=NC2=C(C=CC=C2S1)OC)C(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

C[NH+](C)CCN(C1=NC2=C(C=CC=C2S1)OC)C(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C21H21N3O3S/c1-23(2)11-12-24(20(25)17-13-14-7-4-5-8-15(14)27-17)21-22-19-16(26-3)9-6-10-18(19)28-21/h4-10,13H,11-12H2,1-3H3/p+1