2-[(6-fluoranyl-1,3-benzothiazol-2-yl)-[4-(phenylcarbonyl)phenyl]carbonyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(6-fluoranyl-1,3-benzothiazol-2-yl)-[4-(phenylcarbonyl)phenyl]carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4-benzoylbenzoyl)-(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(4-benzoylphenyl)-oxomethyl]-(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(4-benzoylbenzoyl)-(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[(4-benzoylbenzoyl)-(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C25H23FN3O2S+ MolecularWeight: 448.532423

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(C1=NC2=C(S1)C=C(C=C2)F)C(=O)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C[NH+](C)CCN(C1=NC2=C(S1)C=C(C=C2)F)C(=O)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H22FN3O2S/c1-28(2)14-15-29(25-27-21-13-12-20(26)16-22(21)32-25)24(31)19-10-8-18(9-11-19)23(30)17-6-4-3-5-7-17/h3-13,16H,14-15H2,1-2H3/p+1