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

Systemtic Name: 2-[(4-fluoranyl-1,3-benzothiazol-2-yl)-[4-(phenylcarbonyl)phenyl]carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4-benzoylbenzoyl)-(4-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(4-benzoylphenyl)-oxomethyl]-(4-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(4-benzoylbenzoyl)-(4-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[(4-benzoylbenzoyl)-(4-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(C=CC=C2S1)F)C(=O)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C[NH+](C)CCN(C1=NC2=C(C=CC=C2S1)F)C(=O)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4

InChI

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