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

Systemtic Name: N-[2-[4-(4-bromophenyl)carbonylpiperazin-1-ium-1-yl]ethyl]-N'-(4-methoxyphenyl)ethanediamide Openeye Name: N-[2-[4-(4-bromobenzoyl)piperazin-1-ium-1-yl]ethyl]-N'-(4-methoxyphenyl)oxamide CAS Name: N-[2-[4-[(4-bromophenyl)-oxomethyl]-1-piperazin-1-iumyl]ethyl]-N'-(4-methoxyphenyl)oxamide IUPAC Name: N-[2-[4-(4-bromobenzoyl)piperazin-1-ium-1-yl]ethyl]-N'-(4-methoxyphenyl)oxamide Traditional Name: N-[2-[4-(4-bromobenzoyl)piperazin-1-ium-1-yl]ethyl]-N'-(4-methoxyphenyl)oxamide Formula: C22H26BrN4O4+ MolecularWeight: 490.37024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C(=O)NCC[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C(=O)NCC[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H25BrN4O4/c1-31-19-8-6-18(7-9-19)25-21(29)20(28)24-10-11-26-12-14-27(15-13-26)22(30)16-2-4-17(23)5-3-16/h2-9H,10-15H2,1H3,(H,24,28)(H,25,29)/p+1