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

Systemtic Name: 3,3-dimethyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-ium-7,8-diol iodide Openeye Name: 3,3-dimethyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-ium-7,8-diol iodide CAS Name: 3,3-dimethyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-ium-7,8-diol iodide IUPAC Name: 3,3-dimethyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-ium-7,8-diol iodide Traditional Name: 3,3-dimethyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-ium-7,8-diol iodide Formula: C18H22INO2 MolecularWeight: 411.27725

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO2.HI/c1-19(2)9-8-14-10-17(20)18(21)11-15(14)16(12-19)13-6-4-3-5-7-13;/h3-7,10-11,16H,8-9,12H2,1-2H3,(H-,20,21);1H