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

Systemtic Name: N-[2-[4-(2-bromophenyl)carbonylpiperazin-1-ium-1-yl]ethyl]-N'-phenyl-ethanediamide Openeye Name: N-[2-[4-(2-bromobenzoyl)piperazin-1-ium-1-yl]ethyl]-N'-phenyl-oxamide CAS Name: N-[2-[4-[(2-bromophenyl)-oxomethyl]-1-piperazin-1-iumyl]ethyl]-N'-phenyloxamide IUPAC Name: N-[2-[4-(2-bromobenzoyl)piperazin-1-ium-1-yl]ethyl]-N'-phenyloxamide Traditional Name: N-[2-[4-(2-bromobenzoyl)piperazin-1-ium-1-yl]ethyl]-N'-phenyl-oxamide Formula: C21H24BrN4O3+ MolecularWeight: 460.34426

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCNC(=O)C(=O)NC2=CC=CC=C2)C(=O)C3=CC=CC=C3Br

Isomeric SMILES

C1CN(CC[NH+]1CCNC(=O)C(=O)NC2=CC=CC=C2)C(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C21H23BrN4O3/c22-18-9-5-4-8-17(18)21(29)26-14-12-25(13-15-26)11-10-23-19(27)20(28)24-16-6-2-1-3-7-16/h1-9H,10-15H2,(H,23,27)(H,24,28)/p+1