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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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