N-[3,5-bis(bromanyl)pyridin-2-yl]-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[3,5-bis(bromanyl)pyridin-2-yl]-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(3,5-dibromo-2-pyridyl)acetamide CAS Name: 2-(4-benzoyl-1-piperazin-1-iumyl)-N-(3,5-dibromo-2-pyridinyl)acetamide IUPAC Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(3,5-dibromopyridin-2-yl)acetamide Traditional Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(3,5-dibromo-2-pyridyl)acetamide Formula: C18H19Br2N4O2+ MolecularWeight: 483.17706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=C(C=C(C=N2)Br)Br)C(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=C(C=C(C=N2)Br)Br)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H18Br2N4O2/c19-14-10-15(20)17(21-11-14)22-16(25)12-23-6-8-24(9-7-23)18(26)13-4-2-1-3-5-13/h1-5,10-11H,6-9,12H2,(H,21,22,25)/p+1