N-(2,6-dimethylphenyl)-2-[2-(4-phenylpiperazin-1-ium-1-yl)ethanoylamino]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[2-(4-phenylpiperazin-1-ium-1-yl)ethanoylamino]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[[1-oxo-2-(4-phenyl-1-piperazin-1-iumyl)ethyl]amino]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]acetamide Formula: C22H29N4O2+ MolecularWeight: 381.49126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O2/c1-17-7-6-8-18(2)22(17)24-20(27)15-23-21(28)16-25-11-13-26(14-12-25)19-9-4-3-5-10-19/h3-10H,11-16H2,1-2H3,(H,23,28)(H,24,27)/p+1