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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3Br)C4C(C5=C(CO4)C=CC(=C5O)O)CN.Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3Br)C4C(C5=C(CO4)C=CC(=C5O)O)CN.Br

InChI

InChI=1S/C20H26BrNO3.BrH/c21-18-13-4-10-3-11(5-13)7-20(18,6-10)19-14(8-22)16-12(9-25-19)1-2-15(23)17(16)24;/h1-2,10-11,13-14,18-19,23-24H,3-9,22H2;1H