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

Systemtic Name: N-[2-[4-[(4-bromophenyl)methyl]piperazin-4-ium-1-yl]ethyl]-N'-phenyl-ethanediamide Openeye Name: N-[2-[4-[(4-bromophenyl)methyl]piperazin-4-ium-1-yl]ethyl]-N'-phenyl-oxamide CAS Name: N-[2-[4-[(4-bromophenyl)methyl]-1-piperazin-4-iumyl]ethyl]-N'-phenyloxamide IUPAC Name: N-[2-[4-[(4-bromophenyl)methyl]piperazin-4-ium-1-yl]ethyl]-N'-phenyloxamide Traditional Name: N-[2-[4-(4-bromobenzyl)piperazin-4-ium-1-yl]ethyl]-N'-phenyl-oxamide Formula: C21H26BrN4O2+ MolecularWeight: 446.36074

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)Br)CCNC(=O)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)Br)CCNC(=O)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H25BrN4O2/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/h1-9H,10-16H2,(H,23,27)(H,24,28)/p+1