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

Systemtic Name: 2-[[4-(diethylamino)phenyl]carbonyl-(4-fluoranyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[[4-(diethylamino)benzoyl]-(4-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[4-(diethylamino)phenyl]-oxomethyl]-(4-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[[4-(diethylamino)benzoyl]-(4-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[[4-(diethylamino)benzoyl]-(4-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C22H28FN4OS+ MolecularWeight: 415.547323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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