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

Systemtic Name: N-(4-fluoranyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-2-phenyl-ethanamide Openeye Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-2-phenyl-acetamide CAS Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-N-[3-(4-morpholin-4-iumyl)propyl]-2-phenylacetamide IUPAC Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-2-phenylacetamide Traditional Name: N-(4-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(C=CC=C3S2)F)C(=O)CC4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1CCCN(C2=NC3=C(C=CC=C3S2)F)C(=O)CC4=CC=CC=C4

InChI

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