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

Systemtic Name: 3-(2-adamantyl)-1-(aminomethyl)-3,4-dihydro-1H-isochromene-5,6-diol hydrochloride Openeye Name: 3-(2-adamantyl)-1-(aminomethyl)isochromane-5,6-diol hydrochloride CAS Name: 3-(2-adamantyl)-1-(aminomethyl)-3,4-dihydro-1H-2-benzopyran-5,6-diol hydrochloride IUPAC Name: 3-(2-adamantyl)-1-(aminomethyl)-3,4-dihydro-1H-isochromene-5,6-diol hydrochloride Traditional Name: 3-(2-adamantyl)-1-(aminomethyl)isochroman-5,6-diol hydrochloride Formula: C20H28ClNO3 MolecularWeight: 365.89422

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3C4CC5=C(C=CC(=C5O)O)C(O4)CN.Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)C3C4CC5=C(C=CC(=C5O)O)C(O4)CN.Cl

InChI

InChI=1S/C20H27NO3.ClH/c21-9-18-14-1-2-16(22)20(23)15(14)8-17(24-18)19-12-4-10-3-11(6-12)7-13(19)5-10;/h1-2,10-13,17-19,22-23H,3-9,21H2;1H