N-(6-fluoranyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide

Systemtic Name: N-(6-fluoranyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide Openeye Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide CAS Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-N-[3-(4-morpholin-4-iumyl)propyl]-2,3-dihydro-1,4-dioxin-5-carboxamide IUPAC Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide Traditional Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-2,3-dihydro-p-dioxin-5-carboxamide Formula: C19H23FN3O4S+ MolecularWeight: 408.467023

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCN(C2=NC3=C(S2)C=C(C=C3)F)C(=O)C4=COCCO4

Isomeric SMILES

C1COCC[NH+]1CCCN(C2=NC3=C(S2)C=C(C=C3)F)C(=O)C4=COCCO4

InChI

InChI=1S/C19H22FN3O4S/c20-14-2-3-15-17(12-14)28-19(21-15)23(18(24)16-13-26-10-11-27-16)5-1-4-22-6-8-25-9-7-22/h2-3,12-13H,1,4-11H2/p+1