[3-[4-(3,4-dimethyl-2-oxidanylidene-chromen-7-yl)oxybutoxy]-5-oxidanyl-phenyl]-trimethyl-azanium iodide

Systemtic Name: [3-[4-(3,4-dimethyl-2-oxidanylidene-chromen-7-yl)oxybutoxy]-5-oxidanyl-phenyl]-trimethyl-azanium iodide Openeye Name: [3-[4-(3,4-dimethyl-2-oxo-chromen-7-yl)oxybutoxy]-5-hydroxy-phenyl]-trimethyl-ammonium iodide CAS Name: [3-[4-[(3,4-dimethyl-2-oxo-1-benzopyran-7-yl)oxy]butoxy]-5-hydroxyphenyl]-trimethylammonium iodide IUPAC Name: [3-[4-(3,4-dimethyl-2-oxochromen-7-yl)oxybutoxy]-5-hydroxyphenyl]-trimethylazanium iodide Traditional Name: [3-hydroxy-5-[4-(2-keto-3,4-dimethyl-chromen-7-yl)oxybutoxy]phenyl]-trimethyl-ammonium iodide Formula: C24H30INO5 MolecularWeight: 539.40317

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OCCCCOC3=CC(=CC(=C3)O)[N+](C)(C)C)C.[I-]

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OCCCCOC3=CC(=CC(=C3)O)[N+](C)(C)C)C.[I-]

InChI

InChI=1S/C24H29NO5.HI/c1-16-17(2)24(27)30-23-15-20(8-9-22(16)23)28-10-6-7-11-29-21-13-18(25(3,4)5)12-19(26)14-21;/h8-9,12-15H,6-7,10-11H2,1-5H3;1H