N-(6-fluoranyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-1,2-oxazole-5-carboxamide

Systemtic Name: N-(6-fluoranyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-1,2-oxazole-5-carboxamide Openeye Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)isoxazole-5-carboxamide CAS Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-N-[2-(4-morpholin-4-iumyl)ethyl]-5-isoxazolecarboxamide IUPAC Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-1,2-oxazole-5-carboxamide Traditional Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)isoxazole-5-carboxamide Formula: C17H18FN4O3S+ MolecularWeight: 377.413223

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCN(C2=NC3=C(S2)C=C(C=C3)F)C(=O)C4=CC=NO4

Isomeric SMILES

C1COCC[NH+]1CCN(C2=NC3=C(S2)C=C(C=C3)F)C(=O)C4=CC=NO4

InChI

InChI=1S/C17H17FN4O3S/c18-12-1-2-13-15(11-12)26-17(20-13)22(16(23)14-3-4-19-25-14)6-5-21-7-9-24-10-8-21/h1-4,11H,5-10H2/p+1