4-[1-[[(2-oxidanyl-3-phenoxy-propyl)amino]methyl]cyclopentyl]benzene-1,2-diol hydrobromide

Systemtic Name: 4-[1-[[(2-oxidanyl-3-phenoxy-propyl)amino]methyl]cyclopentyl]benzene-1,2-diol hydrobromide Openeye Name: 4-[1-[[(2-hydroxy-3-phenoxy-propyl)amino]methyl]cyclopentyl]benzene-1,2-diol hydrobromide CAS Name: 4-[1-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]cyclopentyl]benzene-1,2-diol hydrobromide IUPAC Name: 4-[1-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]cyclopentyl]benzene-1,2-diol hydrobromide Traditional Name: 4-[1-[[(2-hydroxy-3-phenoxy-propyl)amino]methyl]cyclopentyl]pyrocatechol hydrobromide Formula: C21H28BrNO4 MolecularWeight: 438.35532

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(CNCC(COC2=CC=CC=C2)O)C3=CC(=C(C=C3)O)O.Br

Isomeric SMILES

C1CCC(C1)(CNCC(COC2=CC=CC=C2)O)C3=CC(=C(C=C3)O)O.Br

InChI

InChI=1S/C21H27NO4.BrH/c23-17(14-26-18-6-2-1-3-7-18)13-22-15-21(10-4-5-11-21)16-8-9-19(24)20(25)12-16;/h1-3,6-9,12,17,22-25H,4-5,10-11,13-15H2;1H