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

Systemtic Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-(2-methylsulfonylphenyl)ethanamide Openeye Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-(2-methylsulfonylphenyl)acetamide CAS Name: 2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]-N-(2-methylsulfonylphenyl)acetamide IUPAC Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-(2-methylsulfonylphenyl)acetamide Traditional Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-(2-mesylphenyl)acetamide Formula: C21H28N3O3S+ MolecularWeight: 402.53032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3S(=O)(=O)C)C

InChI

InChI=1S/C21H27N3O3S/c1-16-7-6-9-19(17(16)2)24-13-11-23(12-14-24)15-21(25)22-18-8-4-5-10-20(18)28(3,26)27/h4-10H,11-15H2,1-3H3,(H,22,25)/p+1