3-[2,3-dihydro-1,4-dioxin-5-ylcarbonyl-(4-fluoranyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[2,3-dihydro-1,4-dioxin-5-ylcarbonyl-(4-fluoranyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[2,3-dihydro-1,4-dioxine-5-carbonyl-(4-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[2,3-dihydro-1,4-dioxin-5-yl(oxo)methyl]-(4-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[2,3-dihydro-1,4-dioxine-5-carbonyl-(4-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[2,3-dihydro-p-dioxin-5-carbonyl-(4-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C17H21FN3O3S+ MolecularWeight: 366.430343

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(C1=NC2=C(C=CC=C2S1)F)C(=O)C3=COCCO3

Isomeric SMILES

C[NH+](C)CCCN(C1=NC2=C(C=CC=C2S1)F)C(=O)C3=COCCO3

InChI

InChI=1S/C17H20FN3O3S/c1-20(2)7-4-8-21(16(22)13-11-23-9-10-24-13)17-19-15-12(18)5-3-6-14(15)25-17/h3,5-6,11H,4,7-10H2,1-2H3/p+1