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

Systemtic Name: 3-[[4-(diethylamino)phenyl]carbonyl-(4-fluoranyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[[4-(diethylamino)benzoyl]-(4-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[[4-(diethylamino)phenyl]-oxomethyl]-(4-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[[4-(diethylamino)benzoyl]-(4-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[[4-(diethylamino)benzoyl]-(4-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C23H30FN4OS+ MolecularWeight: 429.573903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29FN4OS/c1-5-27(6-2)18-13-11-17(12-14-18)22(29)28(16-8-15-26(3)4)23-25-21-19(24)9-7-10-20(21)30-23/h7,9-14H,5-6,8,15-16H2,1-4H3/p+1