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

Systemtic Name: 4-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzene-1,2-diol hydrate dihydrobromide Openeye Name: 4-[2-(4-methylpiperazin-1-yl)-2-(p-tolyl)ethyl]benzene-1,2-diol hydrate dihydrobromide CAS Name: 4-[2-(4-methylphenyl)-2-(4-methyl-1-piperazinyl)ethyl]benzene-1,2-diol hydrate dihydrobromide IUPAC Name: 4-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzene-1,2-diol hydrate dihydrobromide Traditional Name: 4-[2-(4-methylpiperazino)-2-(p-tolyl)ethyl]pyrocatechol hydrate dihydrobromide Formula: C20H30Br2N2O3 MolecularWeight: 506.2718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC2=CC(=C(C=C2)O)O)N3CCN(CC3)C.O.Br.Br

Isomeric SMILES

CC1=CC=C(C=C1)C(CC2=CC(=C(C=C2)O)O)N3CCN(CC3)C.O.Br.Br

InChI

InChI=1S/C20H26N2O2.2BrH.H2O/c1-15-3-6-17(7-4-15)18(22-11-9-21(2)10-12-22)13-16-5-8-19(23)20(24)14-16;;;/h3-8,14,18,23-24H,9-13H2,1-2H3;2*1H;1H2