2-[4,6-dimethoxy-3,7-bis(oxidanyl)phenanthren-1-yl]ethyl-trimethyl-azanium iodide

Systemtic Name: 2-[4,6-dimethoxy-3,7-bis(oxidanyl)phenanthren-1-yl]ethyl-trimethyl-azanium iodide Openeye Name: 2-(3,7-dihydroxy-4,6-dimethoxy-1-phenanthryl)ethyl-trimethyl-ammonium iodide CAS Name: 2-(3,7-dihydroxy-4,6-dimethoxy-1-phenanthrenyl)ethyl-trimethylammonium iodide IUPAC Name: 2-(3,7-dihydroxy-4,6-dimethoxyphenanthren-1-yl)ethyl-trimethylazanium iodide Traditional Name: 2-(3,7-dihydroxy-4,6-dimethoxy-1-phenanthryl)ethyl-trimethyl-ammonium iodide Formula: C21H26INO4 MolecularWeight: 483.33991

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCC1=CC(=C(C2=C1C=CC3=CC(=C(C=C32)OC)O)OC)O.[I-]

Isomeric SMILES

C[N+](C)(C)CCC1=CC(=C(C2=C1C=CC3=CC(=C(C=C32)OC)O)OC)O.[I-]

InChI

InChI=1S/C21H25NO4.HI/c1-22(2,3)9-8-14-11-18(24)21(26-5)20-15(14)7-6-13-10-17(23)19(25-4)12-16(13)20;/h6-7,10-12H,8-9H2,1-5H3,(H-,23,24);1H