4-[2-[[4-oxidanyl-6-(phenethylamino)hexyl]amino]ethyl]benzene-1,2-diol dihydrobromide

Systemtic Name: 4-[2-[[4-oxidanyl-6-(phenethylamino)hexyl]amino]ethyl]benzene-1,2-diol dihydrobromide Openeye Name: 4-[2-[[4-hydroxy-6-(phenethylamino)hexyl]amino]ethyl]benzene-1,2-diol dihydrobromide CAS Name: 4-[2-[[4-hydroxy-6-(phenethylamino)hexyl]amino]ethyl]benzene-1,2-diol dihydrobromide IUPAC Name: 4-[2-[[4-hydroxy-6-(phenethylamino)hexyl]amino]ethyl]benzene-1,2-diol dihydrobromide Traditional Name: 4-[2-[[4-hydroxy-6-(phenethylamino)hexyl]amino]ethyl]pyrocatechol dihydrobromide Formula: C22H34Br2N2O3 MolecularWeight: 534.32496

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNCCC(CCCNCCC2=CC(=C(C=C2)O)O)O.Br.Br

Isomeric SMILES

C1=CC=C(C=C1)CCNCCC(CCCNCCC2=CC(=C(C=C2)O)O)O.Br.Br

InChI

InChI=1S/C22H32N2O3.2BrH/c25-20(12-16-24-14-10-18-5-2-1-3-6-18)7-4-13-23-15-11-19-8-9-21(26)22(27)17-19;;/h1-3,5-6,8-9,17,20,23-27H,4,7,10-16H2;2*1H