N-(5-acetamido-2-methoxy-phenyl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(5-acetamido-2-methoxy-phenyl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(5-acetamido-2-methoxy-phenyl)-2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(5-acetamido-2-methoxyphenyl)-2-[4-(2-methylphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(5-acetamido-2-methoxyphenyl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(5-acetamido-2-methoxy-phenyl)-2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetamide Formula: C22H29N4O3+ MolecularWeight: 397.49066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O3/c1-16-6-4-5-7-20(16)26-12-10-25(11-13-26)15-22(28)24-19-14-18(23-17(2)27)8-9-21(19)29-3/h4-9,14H,10-13,15H2,1-3H3,(H,23,27)(H,24,28)/p+1