3-methyl-7,8-bis(oxidanyl)-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-9-carboxylic acid hydrobromide

Systemtic Name: 3-methyl-7,8-bis(oxidanyl)-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-9-carboxylic acid hydrobromide Openeye Name: 7,8-dihydroxy-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-9-carboxylic acid hydrobromide CAS Name: 7,8-dihydroxy-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-9-carboxylic acid hydrobromide IUPAC Name: 7,8-dihydroxy-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-9-carboxylic acid hydrobromide Traditional Name: 7,8-dihydroxy-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-9-carboxylic acid hydrobromide Formula: C18H20BrNO4 MolecularWeight: 394.2597

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C(=C(C=C2C(C1)C3=CC=CC=C3)O)O)C(=O)O.Br

Isomeric SMILES

CN1CCC2=C(C(=C(C=C2C(C1)C3=CC=CC=C3)O)O)C(=O)O.Br

InChI

InChI=1S/C18H19NO4.BrH/c1-19-8-7-12-13(9-15(20)17(21)16(12)18(22)23)14(10-19)11-5-3-2-4-6-11;/h2-6,9,14,20-21H,7-8,10H2,1H3,(H,22,23);1H