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

Systemtic Name: 3-[1-benzofuran-2-ylcarbonyl-(4-ethoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[benzofuran-2-carbonyl-(4-ethoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[2-benzofuranyl(oxo)methyl]-(4-ethoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[1-benzofuran-2-carbonyl-(4-ethoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[benzofuran-2-carbonyl-(4-ethoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C23H26N3O3S+ MolecularWeight: 424.53584

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC=C1)SC(=N2)N(CCC[NH+](C)C)C(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CCOC1=C2C(=CC=C1)SC(=N2)N(CCC[NH+](C)C)C(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C23H25N3O3S/c1-4-28-18-11-7-12-20-21(18)24-23(30-20)26(14-8-13-25(2)3)22(27)19-15-16-9-5-6-10-17(16)29-19/h5-7,9-12,15H,4,8,13-14H2,1-3H3/p+1