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

Systemtic Name: N'-[2-[4-[(4-bromophenyl)methyl]piperazin-4-ium-1-yl]ethyl]-N-methyl-ethanediamide Openeye Name: N'-[2-[4-[(4-bromophenyl)methyl]piperazin-4-ium-1-yl]ethyl]-N-methyl-oxamide CAS Name: N'-[2-[4-[(4-bromophenyl)methyl]-1-piperazin-4-iumyl]ethyl]-N-methyloxamide IUPAC Name: N'-[2-[4-[(4-bromophenyl)methyl]piperazin-4-ium-1-yl]ethyl]-N-methyloxamide Traditional Name: N'-[2-[4-(4-bromobenzyl)piperazin-4-ium-1-yl]ethyl]-N-methyl-oxamide Formula: C16H24BrN4O2+ MolecularWeight: 384.29136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C(=O)NCCN1CC[NH+](CC1)CC2=CC=C(C=C2)Br

Isomeric SMILES

CNC(=O)C(=O)NCCN1CC[NH+](CC1)CC2=CC=C(C=C2)Br

InChI

InChI=1S/C16H23BrN4O2/c1-18-15(22)16(23)19-6-7-20-8-10-21(11-9-20)12-13-2-4-14(17)5-3-13/h2-5H,6-12H2,1H3,(H,18,22)(H,19,23)/p+1