2-[1-benzofuran-2-ylcarbonyl-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-azanium

Systemtic Name: 2-[1-benzofuran-2-ylcarbonyl-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-azanium Openeye Name: 2-[benzofuran-2-carbonyl-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-ammonium CAS Name: 2-[[2-benzofuranyl(oxo)methyl]-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-diethylammonium IUPAC Name: 2-[1-benzofuran-2-carbonyl-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium Traditional Name: 2-[benzofuran-2-carbonyl-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-ammonium Formula: C23H26N3O2S+ MolecularWeight: 408.53644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O2S/c1-4-25(5-2)12-13-26(23-24-18-11-10-16(3)14-21(18)29-23)22(27)20-15-17-8-6-7-9-19(17)28-20/h6-11,14-15H,4-5,12-13H2,1-3H3/p+1