N'-(4-methylphenyl)-N-[2-[4-(2-nitrophenyl)carbonylpiperazin-1-ium-1-yl]ethyl]ethanediamide

Systemtic Name: N'-(4-methylphenyl)-N-[2-[4-(2-nitrophenyl)carbonylpiperazin-1-ium-1-yl]ethyl]ethanediamide Openeye Name: N-[2-[4-(2-nitrobenzoyl)piperazin-1-ium-1-yl]ethyl]-N'-(p-tolyl)oxamide CAS Name: N'-(4-methylphenyl)-N-[2-[4-[(2-nitrophenyl)-oxomethyl]-1-piperazin-1-iumyl]ethyl]oxamide IUPAC Name: N'-(4-methylphenyl)-N-[2-[4-(2-nitrobenzoyl)piperazin-1-ium-1-yl]ethyl]oxamide Traditional Name: N-[2-[4-(2-nitrobenzoyl)piperazin-1-ium-1-yl]ethyl]-N'-(p-tolyl)oxamide Formula: C22H26N5O5+ MolecularWeight: 440.47234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O5/c1-16-6-8-17(9-7-16)24-21(29)20(28)23-10-11-25-12-14-26(15-13-25)22(30)18-4-2-3-5-19(18)27(31)32/h2-9H,10-15H2,1H3,(H,23,28)(H,24,29)/p+1