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

Systemtic Name: 3-[1-benzofuran-2-ylcarbonyl-(6-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[benzofuran-2-carbonyl-(6-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[2-benzofuranyl(oxo)methyl]-(6-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[1-benzofuran-2-carbonyl-(6-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[benzofuran-2-carbonyl-(6-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C22H24N3O3S+ MolecularWeight: 410.50926

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(C1=NC2=C(S1)C=C(C=C2)OC)C(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

C[NH+](C)CCCN(C1=NC2=C(S1)C=C(C=C2)OC)C(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C22H23N3O3S/c1-24(2)11-6-12-25(21(26)19-13-15-7-4-5-8-18(15)28-19)22-23-17-10-9-16(27-3)14-20(17)29-22/h4-5,7-10,13-14H,6,11-12H2,1-3H3/p+1