(5R)-9-chloranyl-3,3-di(methyl)-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-ium-7,8-diol iodide

Systemtic Name: (5R)-9-chloranyl-3,3-di(methyl)-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-ium-7,8-diol iodide Openeye Name: (5R)-9-chloro-3,3-di(methyl)-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-ium-7,8-diol iodide CAS Name: (5R)-9-chloro-3,3-di(methyl)-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-ium-7,8-diol iodide IUPAC Name: (5R)-9-chloro-3,3-di(methyl)-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-ium-7,8-diol iodide Traditional Name: (5R)-9-chloro-3,3-di(methyl)-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-ium-7,8-diol iodide Formula: C18H21ClINO2 MolecularWeight: 446.714965

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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)Cl)C.[I-]

Isomeric SMILES

C[N+]1(CCC2=C(C(=C(C=C2[C@H](C1)C3=CC=CC=C3)O)O)Cl)[13CH3].[I-]

InChI

InChI=1S/C18H20ClNO2.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/t15-;/m1./s1/i1+1;/t15-,20?;