(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl-[2-(2-fluoranylphenoxy)ethyl]-methyl-azanium

Systemtic Name: (6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl-[2-(2-fluoranylphenoxy)ethyl]-methyl-azanium Openeye Name: (6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl-[2-(2-fluorophenoxy)ethyl]-methyl-ammonium CAS Name: (6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl-[2-(2-fluorophenoxy)ethyl]-methylammonium IUPAC Name: (6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl-[2-(2-fluorophenoxy)ethyl]-methylazanium Traditional Name: (6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl-[2-(2-fluorophenoxy)ethyl]-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)CCOC3=CC=CC=C3F)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+](C)CCOC3=CC=CC=C3F)O

InChI

InChI=1S/C21H22FNO4/c1-3-14-10-16-15(11-21(25)27-20(16)12-18(14)24)13-23(2)8-9-26-19-7-5-4-6-17(19)22/h4-7,10-12,24H,3,8-9,13H2,1-2H3/p+1