3-[1,3-benzothiazol-2-yl-[3-(trifluoromethyl)phenyl]carbonyl-amino]propyl-dimethyl-azanium

Systemtic Name: 3-[1,3-benzothiazol-2-yl-[3-(trifluoromethyl)phenyl]carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[1,3-benzothiazol-2-yl-[3-(trifluoromethyl)benzoyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[1,3-benzothiazol-2-yl-[oxo-[3-(trifluoromethyl)phenyl]methyl]amino]propyl-dimethylammonium IUPAC Name: 3-[1,3-benzothiazol-2-yl-[3-(trifluoromethyl)benzoyl]amino]propyl-dimethylazanium Traditional Name: 3-[1,3-benzothiazol-2-yl-[3-(trifluoromethyl)benzoyl]amino]propyl-dimethyl-ammonium Formula: C20H21F3N3OS+ MolecularWeight: 408.46045

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(C1=NC2=CC=CC=C2S1)C(=O)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

C[NH+](C)CCCN(C1=NC2=CC=CC=C2S1)C(=O)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C20H20F3N3OS/c1-25(2)11-6-12-26(19-24-16-9-3-4-10-17(16)28-19)18(27)14-7-5-8-15(13-14)20(21,22)23/h3-5,7-10,13H,6,11-12H2,1-2H3/p+1