N-(4-fluoranyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-3-phenyl-propanamide

Systemtic Name: N-(4-fluoranyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-3-phenyl-propanamide Openeye Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-3-phenyl-propanamide CAS Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-N-[2-(4-morpholin-4-iumyl)ethyl]-3-phenylpropanamide IUPAC Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-3-phenylpropanamide Traditional Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-3-phenyl-propionamide Formula: C22H25FN3O2S+ MolecularWeight: 414.516203

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCN(C2=NC3=C(C=CC=C3S2)F)C(=O)CCC4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1CCN(C2=NC3=C(C=CC=C3S2)F)C(=O)CCC4=CC=CC=C4

InChI

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