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

Systemtic Name: 2-[1-benzofuran-2-ylcarbonyl-(4-ethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[benzofuran-2-carbonyl-(4-ethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[2-benzofuranyl(oxo)methyl]-(4-ethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[1-benzofuran-2-carbonyl-(4-ethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[benzofuran-2-carbonyl-(4-ethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C22H24N3O2S+ MolecularWeight: 394.50986

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)SC(=N2)N(CC[NH+](C)C)C(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(=N2)N(CC[NH+](C)C)C(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C22H23N3O2S/c1-4-15-9-7-11-19-20(15)23-22(28-19)25(13-12-24(2)3)21(26)18-14-16-8-5-6-10-17(16)27-18/h5-11,14H,4,12-13H2,1-3H3/p+1