N-(3,5-dimethylphenyl)-2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3,5-dimethylphenyl)-2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(3,5-dimethylphenyl)acetamide CAS Name: 2-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-N-(3,5-dimethylphenyl)acetamide IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(3,5-dimethylphenyl)acetamide Traditional Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(3,5-dimethylphenyl)acetamide Formula: C22H28N3O2+ MolecularWeight: 366.47662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O2/c1-16-12-17(2)14-20(13-16)23-22(27)15-24-8-10-25(11-9-24)21-6-4-19(5-7-21)18(3)26/h4-7,12-14H,8-11,15H2,1-3H3,(H,23,27)/p+1