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

Systemtic Name: (6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl-[(3-fluoranyl-4-methoxy-phenyl)methyl]-methyl-azanium Openeye Name: (6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl-[(3-fluoro-4-methoxy-phenyl)methyl]-methyl-ammonium CAS Name: (6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl-[(3-fluoro-4-methoxyphenyl)methyl]-methylammonium IUPAC Name: (6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium Traditional Name: (6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl-(3-fluoro-4-methoxy-benzyl)-methyl-ammonium Formula: C21H23FNO4+ MolecularWeight: 372.410023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22FNO4/c1-4-14-8-16-15(9-21(25)27-20(16)10-18(14)24)12-23(2)11-13-5-6-19(26-3)17(22)7-13/h5-10,24H,4,11-12H2,1-3H3/p+1