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

Systemtic Name: 2-[(4-ethanoylphenyl)carbonyl-(4-fluoranyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4-acetylbenzoyl)-(4-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(4-acetylphenyl)-oxomethyl]-(4-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(4-acetylbenzoyl)-(4-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[(4-acetylbenzoyl)-(4-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C20H21FN3O2S+ MolecularWeight: 386.463043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20FN3O2S/c1-13(25)14-7-9-15(10-8-14)19(26)24(12-11-23(2)3)20-22-18-16(21)5-4-6-17(18)27-20/h4-10H,11-12H2,1-3H3/p+1