diethyl-[3-[3-(2-hydroxyphenyl)-4-oxidanylidene-chromen-7-yl]oxy-2-oxidanyl-propyl]-methyl-azanium iodide

Systemtic Name: diethyl-[3-[3-(2-hydroxyphenyl)-4-oxidanylidene-chromen-7-yl]oxy-2-oxidanyl-propyl]-methyl-azanium iodide Openeye Name: diethyl-[2-hydroxy-3-[3-(2-hydroxyphenyl)-4-oxo-chromen-7-yl]oxy-propyl]-methyl-ammonium iodide CAS Name: diethyl-[2-hydroxy-3-[[3-(2-hydroxyphenyl)-4-oxo-1-benzopyran-7-yl]oxy]propyl]-methylammonium iodide IUPAC Name: diethyl-[2-hydroxy-3-[3-(2-hydroxyphenyl)-4-oxochromen-7-yl]oxypropyl]-methylazanium iodide Traditional Name: diethyl-[2-hydroxy-3-[3-(2-hydroxyphenyl)-4-keto-chromen-7-yl]oxy-propyl]-methyl-ammonium iodide Formula: C23H28INO5 MolecularWeight: 525.37659

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CC(COC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=CC=C3O)O.[I-]

Isomeric SMILES

CC[N+](C)(CC)CC(COC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=CC=C3O)O.[I-]

InChI

InChI=1S/C23H27NO5.HI/c1-4-24(3,5-2)13-16(25)14-28-17-10-11-19-22(12-17)29-15-20(23(19)27)18-8-6-7-9-21(18)26;/h6-12,15-16,25H,4-5,13-14H2,1-3H3;1H