4-[[6-[2-(4-hydroxyphenyl)ethyl]piperidin-2-yl]methyl]benzene-1,2-diol hydrobromide

Systemtic Name: 4-[[6-[2-(4-hydroxyphenyl)ethyl]piperidin-2-yl]methyl]benzene-1,2-diol hydrobromide Openeye Name: 4-[[6-[2-(4-hydroxyphenyl)ethyl]-2-piperidyl]methyl]benzene-1,2-diol hydrobromide CAS Name: 4-[[6-[2-(4-hydroxyphenyl)ethyl]-2-piperidinyl]methyl]benzene-1,2-diol hydrobromide IUPAC Name: 4-[[6-[2-(4-hydroxyphenyl)ethyl]piperidin-2-yl]methyl]benzene-1,2-diol hydrobromide Traditional Name: 4-[[6-[2-(4-hydroxyphenyl)ethyl]-2-piperidyl]methyl]pyrocatechol hydrobromide Formula: C20H26BrNO3 MolecularWeight: 408.32934

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC(C1)CC2=CC(=C(C=C2)O)O)CCC3=CC=C(C=C3)O.Br

Isomeric SMILES

C1CC(NC(C1)CC2=CC(=C(C=C2)O)O)CCC3=CC=C(C=C3)O.Br

InChI

InChI=1S/C20H25NO3.BrH/c22-18-9-5-14(6-10-18)4-8-16-2-1-3-17(21-16)12-15-7-11-19(23)20(24)13-15;/h5-7,9-11,13,16-17,21-24H,1-4,8,12H2;1H