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

Systemtic Name: N-[2-[4-[(4-bromophenyl)methyl]piperazin-4-ium-1-yl]ethyl]-N'-cyclohexyl-ethanediamide Openeye Name: N-[2-[4-[(4-bromophenyl)methyl]piperazin-4-ium-1-yl]ethyl]-N'-cyclohexyl-oxamide CAS Name: N-[2-[4-[(4-bromophenyl)methyl]-1-piperazin-4-iumyl]ethyl]-N'-cyclohexyloxamide IUPAC Name: N-[2-[4-[(4-bromophenyl)methyl]piperazin-4-ium-1-yl]ethyl]-N'-cyclohexyloxamide Traditional Name: N-[2-[4-(4-bromobenzyl)piperazin-4-ium-1-yl]ethyl]-N'-cyclohexyl-oxamide Formula: C21H32BrN4O2+ MolecularWeight: 452.40838

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C(=O)NCCN2CC[NH+](CC2)CC3=CC=C(C=C3)Br

Isomeric SMILES

C1CCC(CC1)NC(=O)C(=O)NCCN2CC[NH+](CC2)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H31BrN4O2/c22-18-8-6-17(7-9-18)16-26-14-12-25(13-15-26)11-10-23-20(27)21(28)24-19-4-2-1-3-5-19/h6-9,19H,1-5,10-16H2,(H,23,27)(H,24,28)/p+1