N-(4-acetamidophenyl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-acetamidophenyl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-acetamidophenyl)-2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-acetamidophenyl)-2-[4-(2-methylphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-acetamidophenyl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-acetamidophenyl)-2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetamide Formula: C21H27N4O2+ MolecularWeight: 367.46468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C21H26N4O2/c1-16-5-3-4-6-20(16)25-13-11-24(12-14-25)15-21(27)23-19-9-7-18(8-10-19)22-17(2)26/h3-10H,11-15H2,1-2H3,(H,22,26)(H,23,27)/p+1