2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)ethanamide

Systemtic Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)ethanamide Openeye Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide CAS Name: 2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide IUPAC Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide Traditional Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(5-methylpiazthiol-4-yl)acetamide Formula: C19H21FN5OS+ MolecularWeight: 386.466343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NSN=C2C=C1)NC(=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=C(C2=NSN=C2C=C1)NC(=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C19H20FN5OS/c1-13-2-7-16-19(23-27-22-16)18(13)21-17(26)12-24-8-10-25(11-9-24)15-5-3-14(20)4-6-15/h2-7H,8-12H2,1H3,(H,21,26)/p+1