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

Systemtic Name: N-(2,5-dimethoxyphenyl)-2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(2,5-dimethoxyphenyl)acetamide CAS Name: 2-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-N-(2,5-dimethoxyphenyl)acetamide IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(2,5-dimethoxyphenyl)acetamide Traditional Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(2,5-dimethoxyphenyl)acetamide Formula: C22H28N3O4+ MolecularWeight: 398.47542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC(=O)NC3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC(=O)NC3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C22H27N3O4/c1-16(26)17-4-6-18(7-5-17)25-12-10-24(11-13-25)15-22(27)23-20-14-19(28-2)8-9-21(20)29-3/h4-9,14H,10-13,15H2,1-3H3,(H,23,27)/p+1