2-[4-(2-chlorophenyl)carbonylpiperazin-1-ium-1-yl]-N-(2,4,6-trimethylphenyl)ethanamide

Systemtic Name: 2-[4-(2-chlorophenyl)carbonylpiperazin-1-ium-1-yl]-N-(2,4,6-trimethylphenyl)ethanamide Openeye Name: 2-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]-N-(2,4,6-trimethylphenyl)acetamide CAS Name: 2-[4-[(2-chlorophenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(2,4,6-trimethylphenyl)acetamide IUPAC Name: 2-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]-N-(2,4,6-trimethylphenyl)acetamide Traditional Name: 2-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]-N-mesityl-acetamide Formula: C22H27ClN3O2+ MolecularWeight: 400.92168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3Cl)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3Cl)C

InChI

InChI=1S/C22H26ClN3O2/c1-15-12-16(2)21(17(3)13-15)24-20(27)14-25-8-10-26(11-9-25)22(28)18-6-4-5-7-19(18)23/h4-7,12-13H,8-11,14H2,1-3H3,(H,24,27)/p+1