2-[(5-bromanylthiophen-2-yl)carbonyl-(4-fluoranyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(5-bromanylthiophen-2-yl)carbonyl-(4-fluoranyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(5-bromothiophene-2-carbonyl)-(4-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(5-bromo-2-thiophenyl)-oxomethyl]-(4-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(5-bromothiophene-2-carbonyl)-(4-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[(5-bromothiophene-2-carbonyl)-(4-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C16H16BrFN3OS2+ MolecularWeight: 429.350143

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(C1=NC2=C(C=CC=C2S1)F)C(=O)C3=CC=C(S3)Br

Isomeric SMILES

C[NH+](C)CCN(C1=NC2=C(C=CC=C2S1)F)C(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C16H15BrFN3OS2/c1-20(2)8-9-21(15(22)12-6-7-13(17)23-12)16-19-14-10(18)4-3-5-11(14)24-16/h3-7H,8-9H2,1-2H3/p+1