N-(6-fluoranyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-2-phenyl-ethanamide

Systemtic Name: N-(6-fluoranyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-2-phenyl-ethanamide Openeye Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-2-phenyl-acetamide CAS Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-N-[3-(4-morpholin-4-iumyl)propyl]-2-phenylacetamide IUPAC Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-2-phenylacetamide Traditional Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-2-phenyl-acetamide Formula: C22H25FN3O2S+ MolecularWeight: 414.516203

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCN(C2=NC3=C(S2)C=C(C=C3)F)C(=O)CC4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1CCCN(C2=NC3=C(S2)C=C(C=C3)F)C(=O)CC4=CC=CC=C4

InChI

InChI=1S/C22H24FN3O2S/c23-18-7-8-19-20(16-18)29-22(24-19)26(10-4-9-25-11-13-28-14-12-25)21(27)15-17-5-2-1-3-6-17/h1-3,5-8,16H,4,9-15H2/p+1