1-(aminomethyl)-8-bromanyl-3-phenyl-3,4-dihydro-1H-isochromene-5,6-diol hydrochloride

Systemtic Name: 1-(aminomethyl)-8-bromanyl-3-phenyl-3,4-dihydro-1H-isochromene-5,6-diol hydrochloride Openeye Name: 1-(aminomethyl)-8-bromo-3-phenyl-isochromane-5,6-diol hydrochloride CAS Name: 1-(aminomethyl)-8-bromo-3-phenyl-3,4-dihydro-1H-2-benzopyran-5,6-diol hydrochloride IUPAC Name: 1-(aminomethyl)-8-bromo-3-phenyl-3,4-dihydro-1H-isochromene-5,6-diol hydrochloride Traditional Name: 1-(aminomethyl)-8-bromo-3-phenyl-isochroman-5,6-diol hydrochloride Formula: C16H17BrClNO3 MolecularWeight: 386.66808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(C2=C(C=C(C(=C21)O)O)Br)CN)C3=CC=CC=C3.Cl

Isomeric SMILES

C1C(OC(C2=C(C=C(C(=C21)O)O)Br)CN)C3=CC=CC=C3.Cl

InChI

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