9-bromanyl-3,3-dimethyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-ium-7,8-diol iodide

Systemtic Name: 9-bromanyl-3,3-dimethyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-ium-7,8-diol iodide Openeye Name: 9-bromo-3,3-dimethyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-ium-7,8-diol iodide CAS Name: 9-bromo-3,3-dimethyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-ium-7,8-diol iodide IUPAC Name: 9-bromo-3,3-dimethyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-ium-7,8-diol iodide Traditional Name: 9-bromo-3,3-dimethyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-ium-7,8-diol iodide Formula: C18H21BrINO2 MolecularWeight: 490.17331

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC2=C(C(=C(C=C2C(C1)C3=CC=CC=C3)O)O)Br)C.[I-]

Isomeric SMILES

C[N+]1(CCC2=C(C(=C(C=C2C(C1)C3=CC=CC=C3)O)O)Br)C.[I-]

InChI

InChI=1S/C18H20BrNO2.HI/c1-20(2)9-8-13-14(10-16(21)18(22)17(13)19)15(11-20)12-6-4-3-5-7-12;/h3-7,10,15H,8-9,11H2,1-2H3,(H-,21,22);1H