2-[2-(2,4-dimethylphenyl)ethanoyl-(4-fluoranyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[2-(2,4-dimethylphenyl)ethanoyl-(4-fluoranyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[[2-(2,4-dimethylphenyl)acetyl]-(4-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[2-(2,4-dimethylphenyl)-1-oxoethyl]-(4-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[[2-(2,4-dimethylphenyl)acetyl]-(4-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[[2-(2,4-dimethylphenyl)acetyl]-(4-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C21H25FN3OS+ MolecularWeight: 386.506103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CC(=O)N(CC[NH+](C)C)C2=NC3=C(C=CC=C3S2)F)C

Isomeric SMILES

CC1=CC(=C(C=C1)CC(=O)N(CC[NH+](C)C)C2=NC3=C(C=CC=C3S2)F)C

InChI

InChI=1S/C21H24FN3OS/c1-14-8-9-16(15(2)12-14)13-19(26)25(11-10-24(3)4)21-23-20-17(22)6-5-7-18(20)27-21/h5-9,12H,10-11,13H2,1-4H3/p+1