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

Systemtic Name: 3-[(4-dimethylaminophenyl)carbonyl-(4-fluoranyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[[4-(dimethylamino)benzoyl]-(4-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[(4-dimethylaminophenyl)-oxomethyl]-(4-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[[4-(dimethylamino)benzoyl]-(4-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[[4-(dimethylamino)benzoyl]-(4-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C21H26FN4OS+ MolecularWeight: 401.520743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25FN4OS/c1-24(2)13-6-14-26(20(27)15-9-11-16(12-10-15)25(3)4)21-23-19-17(22)7-5-8-18(19)28-21/h5,7-12H,6,13-14H2,1-4H3/p+1