ethyl-[(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]-[(3-fluoranyl-4-methoxy-phenyl)methyl]azanium

Systemtic Name: ethyl-[(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]-[(3-fluoranyl-4-methoxy-phenyl)methyl]azanium Openeye Name: ethyl-[(6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl]-[(3-fluoro-4-methoxy-phenyl)methyl]ammonium CAS Name: ethyl-[(6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl]-[(3-fluoro-4-methoxyphenyl)methyl]ammonium IUPAC Name: ethyl-[(6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl]-[(3-fluoro-4-methoxyphenyl)methyl]azanium Traditional Name: ethyl-[(6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl]-(3-fluoro-4-methoxy-benzyl)ammonium Formula: C22H25FNO4+ MolecularWeight: 386.436603

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+](CC)CC3=CC(=C(C=C3)OC)F)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+](CC)CC3=CC(=C(C=C3)OC)F)O

InChI

InChI=1S/C22H24FNO4/c1-4-15-9-17-16(10-22(26)28-21(17)11-19(15)25)13-24(5-2)12-14-6-7-20(27-3)18(23)8-14/h6-11,25H,4-5,12-13H2,1-3H3/p+1