N-(4-fluoranyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide

Systemtic Name: N-(4-fluoranyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide Openeye Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide CAS Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-N-[2-(4-morpholin-4-iumyl)ethyl]-2,3-dihydro-1,4-dioxin-5-carboxamide IUPAC Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide Traditional Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-2,3-dihydro-p-dioxin-5-carboxamide Formula: C18H21FN3O4S+ MolecularWeight: 394.440443

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCN(C2=NC3=C(C=CC=C3S2)F)C(=O)C4=COCCO4

Isomeric SMILES

C1COCC[NH+]1CCN(C2=NC3=C(C=CC=C3S2)F)C(=O)C4=COCCO4

InChI

InChI=1S/C18H20FN3O4S/c19-13-2-1-3-15-16(13)20-18(27-15)22(5-4-21-6-8-24-9-7-21)17(23)14-12-25-10-11-26-14/h1-3,12H,4-11H2/p+1