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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC4=C(C=C3)N=CS4

InChI

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