2-[7-(2-ethoxy-2-oxidanylidene-ethoxy)-4-methyl-2-oxidanylidene-chromen-3-yl]ethyl-diethyl-azanium chloride

Systemtic Name: 2-[7-(2-ethoxy-2-oxidanylidene-ethoxy)-4-methyl-2-oxidanylidene-chromen-3-yl]ethyl-diethyl-azanium chloride Openeye Name: 2-[7-(2-ethoxy-2-oxo-ethoxy)-4-methyl-2-oxo-chromen-3-yl]ethyl-diethyl-ammonium chloride CAS Name: 2-[7-(2-ethoxy-2-oxoethoxy)-4-methyl-2-oxo-1-benzopyran-3-yl]ethyl-diethylammonium chloride IUPAC Name: 2-[7-(2-ethoxy-2-oxoethoxy)-4-methyl-2-oxochromen-3-yl]ethyl-diethylazanium chloride Traditional Name: 2-[7-(2-ethoxy-2-keto-ethoxy)-2-keto-4-methyl-chromen-3-yl]ethyl-diethyl-ammonium chloride Formula: C20H28ClNO5 MolecularWeight: 397.89302

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCC1=C(C2=C(C=C(C=C2)OCC(=O)OCC)OC1=O)C.[Cl-]

Isomeric SMILES

CC[NH+](CC)CCC1=C(C2=C(C=C(C=C2)OCC(=O)OCC)OC1=O)C.[Cl-]

InChI

InChI=1S/C20H27NO5.ClH/c1-5-21(6-2)11-10-17-14(4)16-9-8-15(12-18(16)26-20(17)23)25-13-19(22)24-7-3;/h8-9,12H,5-7,10-11,13H2,1-4H3;1H