3-[[4-(diethylamino)phenyl]carbonyl-(6-fluoranyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[4-(diethylamino)phenyl]carbonyl-(6-fluoranyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[[4-(diethylamino)benzoyl]-(6-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[[4-(diethylamino)phenyl]-oxomethyl]-(6-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[[4-(diethylamino)benzoyl]-(6-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[[4-(diethylamino)benzoyl]-(6-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C23H30FN4OS+ MolecularWeight: 429.573903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C(=O)N(CCC[NH+](C)C)C2=NC3=C(S2)C=C(C=C3)F

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C(=O)N(CCC[NH+](C)C)C2=NC3=C(S2)C=C(C=C3)F

InChI

InChI=1S/C23H29FN4OS/c1-5-27(6-2)19-11-8-17(9-12-19)22(29)28(15-7-14-26(3)4)23-25-20-13-10-18(24)16-21(20)30-23/h8-13,16H,5-7,14-15H2,1-4H3/p+1