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

Systemtic Name: 2-[1-benzofuran-2-ylcarbonyl-(6-fluoranyl-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-azanium Openeye Name: 2-[benzofuran-2-carbonyl-(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-ammonium CAS Name: 2-[[2-benzofuranyl(oxo)methyl]-(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-diethylammonium IUPAC Name: 2-[1-benzofuran-2-carbonyl-(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium Traditional Name: 2-[benzofuran-2-carbonyl-(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-ammonium Formula: C22H23FN3O2S+ MolecularWeight: 412.500323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22FN3O2S/c1-3-25(4-2)11-12-26(22-24-17-10-9-16(23)14-20(17)29-22)21(27)19-13-15-7-5-6-8-18(15)28-19/h5-10,13-14H,3-4,11-12H2,1-2H3/p+1