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

Systemtic Name: 3-[(4-cyanophenyl)carbonyl-(4-fluoranyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(4-cyanobenzoyl)-(4-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[(4-cyanophenyl)-oxomethyl]-(4-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[(4-cyanobenzoyl)-(4-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[(4-cyanobenzoyl)-(4-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C20H20FN4OS+ MolecularWeight: 383.462403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19FN4OS/c1-24(2)11-4-12-25(19(26)15-9-7-14(13-22)8-10-15)20-23-18-16(21)5-3-6-17(18)27-20/h3,5-10H,4,11-12H2,1-2H3/p+1