2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2,4,6-trimethylphenyl)ethanamide

Systemtic Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2,4,6-trimethylphenyl)ethanamide Openeye Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2,4,6-trimethylphenyl)acetamide CAS Name: 2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-N-(2,4,6-trimethylphenyl)acetamide IUPAC Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2,4,6-trimethylphenyl)acetamide Traditional Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-mesityl-acetamide Formula: C21H27ClN3O+ MolecularWeight: 372.91158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN3O/c1-15-11-16(2)21(17(3)12-15)23-20(26)14-24-7-9-25(10-8-24)19-6-4-5-18(22)13-19/h4-6,11-13H,7-10,14H2,1-3H3,(H,23,26)/p+1