1-(aminomethyl)-8-(2-bromanyl-1-adamantyl)-3,4-dihydro-1H-isochromene-5,6-diol hydrobromide

Systemtic Name: 1-(aminomethyl)-8-(2-bromanyl-1-adamantyl)-3,4-dihydro-1H-isochromene-5,6-diol hydrobromide Openeye Name: 1-(aminomethyl)-8-(2-bromo-1-adamantyl)isochromane-5,6-diol hydrobromide CAS Name: 1-(aminomethyl)-8-(2-bromo-1-adamantyl)-3,4-dihydro-1H-2-benzopyran-5,6-diol hydrobromide IUPAC Name: 1-(aminomethyl)-8-(2-bromo-1-adamantyl)-3,4-dihydro-1H-isochromene-5,6-diol hydrobromide Traditional Name: 1-(aminomethyl)-8-(2-bromo-1-adamantyl)isochroman-5,6-diol hydrobromide Formula: C20H27Br2NO3 MolecularWeight: 489.24128

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C2=C1C(=C(C=C2C34CC5CC(C3)CC(C5)C4Br)O)O)CN.Br

Isomeric SMILES

C1COC(C2=C1C(=C(C=C2C34CC5CC(C3)CC(C5)C4Br)O)O)CN.Br

InChI

InChI=1S/C20H26BrNO3.BrH/c21-19-12-4-10-3-11(5-12)8-20(19,7-10)14-6-15(23)18(24)13-1-2-25-16(9-22)17(13)14;/h6,10-12,16,19,23-24H,1-5,7-9,22H2;1H