3-[2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl-(4-fluoranyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl-(4-fluoranyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[2,3-dihydro-1,4-benzodioxine-6-carbonyl-(4-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]-(4-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[2,3-dihydro-1,4-benzodioxine-6-carbonyl-(4-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[2,3-dihydro-1,4-benzodioxin-6-carbonyl-(4-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C21H23FN3O3S+ MolecularWeight: 416.489023

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(C1=NC2=C(C=CC=C2S1)F)C(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C[NH+](C)CCCN(C1=NC2=C(C=CC=C2S1)F)C(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H22FN3O3S/c1-24(2)9-4-10-25(21-23-19-15(22)5-3-6-18(19)29-21)20(26)14-7-8-16-17(13-14)28-12-11-27-16/h3,5-8,13H,4,9-12H2,1-2H3/p+1