(5S)-9-bromanyl-5-phenyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide

Systemtic Name: (5S)-9-bromanyl-5-phenyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide Openeye Name: (5S)-3-allyl-9-bromo-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide CAS Name: (5S)-9-bromo-5-phenyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide IUPAC Name: (5S)-9-bromo-5-phenyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide Traditional Name: (5S)-3-allyl-9-bromo-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide Formula: C19H21Br2NO2 MolecularWeight: 455.18354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1CCC2=C(C(=C(C=C2C(C1)C3=CC=CC=C3)O)O)Br.Br

Isomeric SMILES

C=CCN1CCC2=C(C(=C(C=C2[C@@H](C1)C3=CC=CC=C3)O)O)Br.Br

InChI

InChI=1S/C19H20BrNO2.BrH/c1-2-9-21-10-8-14-15(11-17(22)19(23)18(14)20)16(12-21)13-6-4-3-5-7-13;/h2-7,11,16,22-23H,1,8-10,12H2;1H/t16-;/m0./s1