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

Systemtic Name: [3-[3-(3,4-dimethyl-2-oxidanylidene-chromen-7-yl)oxypropoxy]-5-oxidanyl-phenyl]-trimethyl-azanium iodide Openeye Name: [3-[3-(3,4-dimethyl-2-oxo-chromen-7-yl)oxypropoxy]-5-hydroxy-phenyl]-trimethyl-ammonium iodide CAS Name: [3-[3-[(3,4-dimethyl-2-oxo-1-benzopyran-7-yl)oxy]propoxy]-5-hydroxyphenyl]-trimethylammonium iodide IUPAC Name: [3-[3-(3,4-dimethyl-2-oxochromen-7-yl)oxypropoxy]-5-hydroxyphenyl]-trimethylazanium iodide Traditional Name: [3-hydroxy-5-[3-(2-keto-3,4-dimethyl-chromen-7-yl)oxypropoxy]phenyl]-trimethyl-ammonium iodide Formula: C23H28INO5 MolecularWeight: 525.37659

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OCCCOC3=CC(=CC(=C3)O)[N+](C)(C)C)C.[I-]

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OCCCOC3=CC(=CC(=C3)O)[N+](C)(C)C)C.[I-]

InChI

InChI=1S/C23H27NO5.HI/c1-15-16(2)23(26)29-22-14-19(7-8-21(15)22)27-9-6-10-28-20-12-17(24(3,4)5)11-18(25)13-20;/h7-8,11-14H,6,9-10H2,1-5H3;1H