(1R,3R)-1-(aminomethyl)-3-phenethyl-3,4-dihydro-1H-isochromene-5,6-diol hydrochloride

Systemtic Name: (1R,3R)-1-(aminomethyl)-3-phenethyl-3,4-dihydro-1H-isochromene-5,6-diol hydrochloride Openeye Name: (1R,3R)-1-(aminomethyl)-3-phenethyl-isochromane-5,6-diol hydrochloride CAS Name: (1R,3R)-1-(aminomethyl)-3-phenethyl-3,4-dihydro-1H-2-benzopyran-5,6-diol hydrochloride IUPAC Name: (1R,3R)-1-(aminomethyl)-3-phenethyl-3,4-dihydro-1H-isochromene-5,6-diol hydrochloride Traditional Name: (1R,3R)-1-(aminomethyl)-3-phenethyl-isochroman-5,6-diol hydrochloride Formula: C18H22ClNO3 MolecularWeight: 335.82518

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(C2=C1C(=C(C=C2)O)O)CN)CCC3=CC=CC=C3.Cl

Isomeric SMILES

C1[C@H](O[C@H](C2=C1C(=C(C=C2)O)O)CN)CCC3=CC=CC=C3.Cl

InChI

InChI=1S/C18H21NO3.ClH/c19-11-17-14-8-9-16(20)18(21)15(14)10-13(22-17)7-6-12-4-2-1-3-5-12;/h1-5,8-9,13,17,20-21H,6-7,10-11,19H2;1H/t13-,17+;/m1./s1