3-[1-benzofuran-2-ylcarbonyl-(4,7-dimethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[1-benzofuran-2-ylcarbonyl-(4,7-dimethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[benzofuran-2-carbonyl-(4,7-dimethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[2-benzofuranyl(oxo)methyl]-(4,7-dimethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[1-benzofuran-2-carbonyl-(4,7-dimethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[benzofuran-2-carbonyl-(4,7-dimethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C23H26N3O2S+ MolecularWeight: 408.53644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)C)SC(=N2)N(CCC[NH+](C)C)C(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CC1=C2C(=C(C=C1)C)SC(=N2)N(CCC[NH+](C)C)C(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C23H25N3O2S/c1-15-10-11-16(2)21-20(15)24-23(29-21)26(13-7-12-25(3)4)22(27)19-14-17-8-5-6-9-18(17)28-19/h5-6,8-11,14H,7,12-13H2,1-4H3/p+1