3-[1-benzofuran-2-ylcarbonyl-(6-ethoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[1-benzofuran-2-ylcarbonyl-(6-ethoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[benzofuran-2-carbonyl-(6-ethoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[2-benzofuranyl(oxo)methyl]-(6-ethoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[1-benzofuran-2-carbonyl-(6-ethoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[benzofuran-2-carbonyl-(6-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=CC2=C(C=C1)N=C(S2)N(CCC[NH+](C)C)C(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N(CCC[NH+](C)C)C(=O)C3=CC4=CC=CC=C4O3

InChI

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