2-ethyl-3,4-dihydro-1H-isoquinolin-5-ol; 3,4,5-trimethoxybenzoic acid; hydrobromide

Systemtic Name: 2-ethyl-3,4-dihydro-1H-isoquinolin-5-ol; 3,4,5-trimethoxybenzoic acid; hydrobromide Openeye Name: 2-ethyl-3,4-dihydro-1H-isoquinolin-5-ol; 3,4,5-trimethoxybenzoic acid; hydrobromide CAS Name: 2-ethyl-3,4-dihydro-1H-isoquinolin-5-ol; 3,4,5-trimethoxybenzoic acid; hydrobromide IUPAC Name: 2-ethyl-3,4-dihydro-1H-isoquinolin-5-ol; 3,4,5-trimethoxybenzoic acid; hydrobromide Traditional Name: 2-ethyl-3,4-dihydro-1H-isoquinolin-5-ol; 3,4,5-trimethoxybenzoic acid; hydrobromide Formula: C21H28BrNO6 MolecularWeight: 470.35412

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC2=C(C1)C=CC=C2O.COC1=CC(=CC(=C1OC)OC)C(=O)O.Br

Isomeric SMILES

CCN1CCC2=C(C1)C=CC=C2O.COC1=CC(=CC(=C1OC)OC)C(=O)O.Br

InChI

InChI=1S/C11H15NO.C10H12O5.BrH/c1-2-12-7-6-10-9(8-12)4-3-5-11(10)13;1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3;/h3-5,13H,2,6-8H2,1H3;4-5H,1-3H3,(H,11,12);1H