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

Systemtic Name: N-[2-[4-(2-bromophenyl)carbonylpiperazin-1-ium-1-yl]ethyl]-N'-(4-methylphenyl)ethanediamide Openeye Name: N-[2-[4-(2-bromobenzoyl)piperazin-1-ium-1-yl]ethyl]-N'-(p-tolyl)oxamide CAS Name: N-[2-[4-[(2-bromophenyl)-oxomethyl]-1-piperazin-1-iumyl]ethyl]-N'-(4-methylphenyl)oxamide IUPAC Name: N-[2-[4-(2-bromobenzoyl)piperazin-1-ium-1-yl]ethyl]-N'-(4-methylphenyl)oxamide Traditional Name: N-[2-[4-(2-bromobenzoyl)piperazin-1-ium-1-yl]ethyl]-N'-(p-tolyl)oxamide Formula: C22H26BrN4O3+ MolecularWeight: 474.37084

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=C3Br

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C(=O)NCC[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C22H25BrN4O3/c1-16-6-8-17(9-7-16)25-21(29)20(28)24-10-11-26-12-14-27(15-13-26)22(30)18-4-2-3-5-19(18)23/h2-9H,10-15H2,1H3,(H,24,28)(H,25,29)/p+1