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

Systemtic Name: N-(2,6-dimethylphenyl)-2-[2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanoylamino]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[[2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetyl]amino]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[[2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[[2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetyl]amino]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[[2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetyl]amino]acetamide Formula: C22H28N5O4+ MolecularWeight: 426.48882

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=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O4/c1-16-4-3-5-17(2)22(16)24-20(28)14-23-21(29)15-25-10-12-26(13-11-25)18-6-8-19(9-7-18)27(30)31/h3-9H,10-15H2,1-2H3,(H,23,29)(H,24,28)/p+1