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

Systemtic Name: N'-[2-[4-(2-bromophenyl)carbonylpiperazin-1-ium-1-yl]ethyl]-N-methyl-ethanediamide Openeye Name: N'-[2-[4-(2-bromobenzoyl)piperazin-1-ium-1-yl]ethyl]-N-methyl-oxamide CAS Name: N'-[2-[4-[(2-bromophenyl)-oxomethyl]-1-piperazin-1-iumyl]ethyl]-N-methyloxamide IUPAC Name: N'-[2-[4-(2-bromobenzoyl)piperazin-1-ium-1-yl]ethyl]-N-methyloxamide Traditional Name: N'-[2-[4-(2-bromobenzoyl)piperazin-1-ium-1-yl]ethyl]-N-methyl-oxamide Formula: C16H22BrN4O3+ MolecularWeight: 398.27488

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C(=O)NCC[NH+]1CCN(CC1)C(=O)C2=CC=CC=C2Br

Isomeric SMILES

CNC(=O)C(=O)NCC[NH+]1CCN(CC1)C(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C16H21BrN4O3/c1-18-14(22)15(23)19-6-7-20-8-10-21(11-9-20)16(24)12-4-2-3-5-13(12)17/h2-5H,6-11H2,1H3,(H,18,22)(H,19,23)/p+1