1-[(4-chloranylphenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrobromide

Systemtic Name: 1-[(4-chloranylphenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrobromide Openeye Name: 1-[(4-chlorophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrobromide CAS Name: 1-[(4-chlorophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrobromide IUPAC Name: 1-[(4-chlorophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrobromide Traditional Name: 1-[(4-chlorophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrobromide Formula: C16H17BrClNO3 MolecularWeight: 386.66808

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(C2=CC(=C(C=C21)O)O)COC3=CC=C(C=C3)Cl.Br

Isomeric SMILES

C1CNC(C2=CC(=C(C=C21)O)O)COC3=CC=C(C=C3)Cl.Br

InChI

InChI=1S/C16H16ClNO3.BrH/c17-11-1-3-12(4-2-11)21-9-14-13-8-16(20)15(19)7-10(13)5-6-18-14;/h1-4,7-8,14,18-20H,5-6,9H2;1H