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

Systemtic Name: ethyl-[(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]-[(3-fluorophenyl)methyl]azanium Openeye Name: ethyl-[(6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl]-[(3-fluorophenyl)methyl]ammonium CAS Name: ethyl-[(6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl]-[(3-fluorophenyl)methyl]ammonium IUPAC Name: ethyl-[(6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl]-[(3-fluorophenyl)methyl]azanium Traditional Name: ethyl-[(6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl]-(3-fluorobenzyl)ammonium Formula: C21H23FNO3+ MolecularWeight: 356.410623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22FNO3/c1-3-15-9-18-16(10-21(25)26-20(18)11-19(15)24)13-23(4-2)12-14-6-5-7-17(22)8-14/h5-11,24H,3-4,12-13H2,1-2H3/p+1