2-[1-benzofuran-2-ylcarbonyl-(5,7-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[1-benzofuran-2-ylcarbonyl-(5,7-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[benzofuran-2-carbonyl-(5,7-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[2-benzofuranyl(oxo)methyl]-(5,7-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[1-benzofuran-2-carbonyl-(5,7-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[benzofuran-2-carbonyl-(5,7-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C22H24N3O2S+ MolecularWeight: 394.50986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N=C(S2)N(CC[NH+](C)C)C(=O)C3=CC4=CC=CC=C4O3)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(S2)N(CC[NH+](C)C)C(=O)C3=CC4=CC=CC=C4O3)C

InChI

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