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

Systemtic Name: 2-[(4-dimethylaminophenyl)carbonyl-(4-fluoranyl-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-azanium Openeye Name: 2-[[4-(dimethylamino)benzoyl]-(4-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-ammonium CAS Name: 2-[[(4-dimethylaminophenyl)-oxomethyl]-(4-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-diethylammonium IUPAC Name: 2-[[4-(dimethylamino)benzoyl]-(4-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium Traditional Name: 2-[[4-(dimethylamino)benzoyl]-(4-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-ammonium Formula: C22H28FN4OS+ MolecularWeight: 415.547323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27FN4OS/c1-5-26(6-2)14-15-27(21(28)16-10-12-17(13-11-16)25(3)4)22-24-20-18(23)8-7-9-19(20)29-22/h7-13H,5-6,14-15H2,1-4H3/p+1