5-(4-hydroxyphenyl)-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol bromide

Systemtic Name: 5-(4-hydroxyphenyl)-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol bromide Openeye Name: 3-allyl-5-(4-hydroxyphenyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol bromide CAS Name: 5-(4-hydroxyphenyl)-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol bromide IUPAC Name: 5-(4-hydroxyphenyl)-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol bromide Traditional Name: 3-allyl-5-(4-hydroxyphenyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol bromide Formula: C19H21BrNO3- MolecularWeight: 391.27894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO3.BrH/c1-2-8-20-9-7-14-10-18(22)19(23)11-16(14)17(12-20)13-3-5-15(21)6-4-13;/h2-6,10-11,17,21-23H,1,7-9,12H2;1H/p-1