4-[2-[6-(2-pyridin-4-ylethylamino)hexylamino]ethyl]benzene-1,2-diol trihydrobromide

Systemtic Name: 4-[2-[6-(2-pyridin-4-ylethylamino)hexylamino]ethyl]benzene-1,2-diol trihydrobromide Openeye Name: 4-[2-[6-[2-(4-pyridyl)ethylamino]hexylamino]ethyl]benzene-1,2-diol trihydrobromide CAS Name: 4-[2-[6-(2-pyridin-4-ylethylamino)hexylamino]ethyl]benzene-1,2-diol trihydrobromide IUPAC Name: 4-[2-[6-(2-pyridin-4-ylethylamino)hexylamino]ethyl]benzene-1,2-diol trihydrobromide Traditional Name: 4-[2-[6-[2-(4-pyridyl)ethylamino]hexylamino]ethyl]pyrocatechol trihydrobromide Formula: C21H34Br3N3O2 MolecularWeight: 600.22556

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CCNCCCCCCNCCC2=CC=NC=C2)O)O.Br.Br.Br

Isomeric SMILES

C1=CC(=C(C=C1CCNCCCCCCNCCC2=CC=NC=C2)O)O.Br.Br.Br

InChI

InChI=1S/C21H31N3O2.3BrH/c25-20-6-5-19(17-21(20)26)10-16-23-12-4-2-1-3-11-22-13-7-18-8-14-24-15-9-18;;;/h5-6,8-9,14-15,17,22-23,25-26H,1-4,7,10-13,16H2;3*1H