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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCNC(=O)C(=O)NCC2=CC=CC=C2)C(=O)C3=CC=CC=C3Br

Isomeric SMILES

C1CN(CC[NH+]1CCNC(=O)C(=O)NCC2=CC=CC=C2)C(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C22H25BrN4O3/c23-19-9-5-4-8-18(19)22(30)27-14-12-26(13-15-27)11-10-24-20(28)21(29)25-16-17-6-2-1-3-7-17/h1-9H,10-16H2,(H,24,28)(H,25,29)/p+1