2-[4-(1,3-benzothiazol-6-ylcarbonyl)piperazin-1-ium-1-yl]-N-(2-ethylphenyl)ethanamide

Systemtic Name: 2-[4-(1,3-benzothiazol-6-ylcarbonyl)piperazin-1-ium-1-yl]-N-(2-ethylphenyl)ethanamide Openeye Name: 2-[4-(1,3-benzothiazole-6-carbonyl)piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide CAS Name: 2-[4-[1,3-benzothiazol-6-yl(oxo)methyl]-1-piperazin-1-iumyl]-N-(2-ethylphenyl)acetamide IUPAC Name: 2-[4-(1,3-benzothiazole-6-carbonyl)piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide Traditional Name: 2-[4-(1,3-benzothiazole-6-carbonyl)piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide Formula: C22H25N4O2S+ MolecularWeight: 409.5245

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C22H24N4O2S/c1-2-16-5-3-4-6-18(16)24-21(27)14-25-9-11-26(12-10-25)22(28)17-7-8-19-20(13-17)29-15-23-19/h3-8,13,15H,2,9-12,14H2,1H3,(H,24,27)/p+1