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

Systemtic Name: N-(6-fluoranyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-3-phenyl-propanamide Openeye Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-3-phenyl-propanamide CAS Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-N-[2-(4-morpholin-4-iumyl)ethyl]-3-phenylpropanamide IUPAC Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-3-phenylpropanamide Traditional Name: N-(6-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(S2)C=C(C=C3)F)C(=O)CCC4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1CCN(C2=NC3=C(S2)C=C(C=C3)F)C(=O)CCC4=CC=CC=C4

InChI

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