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

Systemtic Name: 1-(aminomethyl)-3-(4-bromophenyl)-3,4-dihydro-1H-isochromene-5,6-diol hydrochloride Openeye Name: 1-(aminomethyl)-3-(4-bromophenyl)isochromane-5,6-diol hydrochloride CAS Name: 1-(aminomethyl)-3-(4-bromophenyl)-3,4-dihydro-1H-2-benzopyran-5,6-diol hydrochloride IUPAC Name: 1-(aminomethyl)-3-(4-bromophenyl)-3,4-dihydro-1H-isochromene-5,6-diol hydrochloride Traditional Name: 1-(aminomethyl)-3-(4-bromophenyl)isochroman-5,6-diol hydrochloride Formula: C16H17BrClNO3 MolecularWeight: 386.66808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16BrNO3.ClH/c17-10-3-1-9(2-4-10)14-7-12-11(15(8-18)21-14)5-6-13(19)16(12)20;/h1-6,14-15,19-20H,7-8,18H2;1H