2-bromanyl-7-[4-(2-hydroxyethyl)piperazin-1-yl]cyclohepta-2,4,6-trien-1-one hydrobromide

Systemtic Name: 2-bromanyl-7-[4-(2-hydroxyethyl)piperazin-1-yl]cyclohepta-2,4,6-trien-1-one hydrobromide Openeye Name: 2-bromo-7-[4-(2-hydroxyethyl)piperazin-1-yl]cyclohepta-2,4,6-trien-1-one hydrobromide CAS Name: 2-bromo-7-[4-(2-hydroxyethyl)-1-piperazinyl]-1-cyclohepta-2,4,6-trienone hydrobromide IUPAC Name: 2-bromo-7-[4-(2-hydroxyethyl)piperazin-1-yl]cyclohepta-2,4,6-trien-1-one hydrobromide Traditional Name: 2-bromo-7-[4-(2-hydroxyethyl)piperazino]cyclohepta-2,4,6-trien-1-one hydrobromide Formula: C13H18Br2N2O2 MolecularWeight: 394.10222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)C2=CC=CC=C(C2=O)Br.Br

Isomeric SMILES

C1CN(CCN1CCO)C2=CC=CC=C(C2=O)Br.Br

InChI

InChI=1S/C13H17BrN2O2.BrH/c14-11-3-1-2-4-12(13(11)18)16-7-5-15(6-8-16)9-10-17;/h1-4,17H,5-10H2;1H