2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-[2-morpholino-4-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]-N-[2-(4-morpholinyl)-4-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]-N-[2-morpholino-4-(trifluoromethyl)phenyl]acetamide Formula: C21H22F3N4O2S+ MolecularWeight: 451.48519

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC2=CC=CC=C21)SCC(=O)NC3=C(C=C(C=C3)C(F)(F)F)N4CCOCC4

Isomeric SMILES

C[N+]1=C(NC2=CC=CC=C21)SCC(=O)NC3=C(C=C(C=C3)C(F)(F)F)N4CCOCC4

InChI

InChI=1S/C21H21F3N4O2S/c1-27-17-5-3-2-4-15(17)26-20(27)31-13-19(29)25-16-7-6-14(21(22,23)24)12-18(16)28-8-10-30-11-9-28/h2-7,12H,8-11,13H2,1H3,(H,25,29)/p+1