4-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]benzene-1,2-diol hydrate dihydrobromide

Systemtic Name: 4-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]benzene-1,2-diol hydrate dihydrobromide Openeye Name: 4-[2-[4-(o-tolyl)piperazin-1-yl]ethyl]benzene-1,2-diol hydrate dihydrobromide CAS Name: 4-[2-[4-(2-methylphenyl)-1-piperazinyl]ethyl]benzene-1,2-diol hydrate dihydrobromide IUPAC Name: 4-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]benzene-1,2-diol hydrate dihydrobromide Traditional Name: 4-[2-[4-(o-tolyl)piperazino]ethyl]pyrocatechol hydrate dihydrobromide Formula: C19H28Br2N2O3 MolecularWeight: 492.24522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)CCC3=CC(=C(C=C3)O)O.O.Br.Br

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)CCC3=CC(=C(C=C3)O)O.O.Br.Br

InChI

InChI=1S/C19H24N2O2.2BrH.H2O/c1-15-4-2-3-5-17(15)21-12-10-20(11-13-21)9-8-16-6-7-18(22)19(23)14-16;;;/h2-7,14,22-23H,8-13H2,1H3;2*1H;1H2