(6-ethyl-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methyl-[(4-fluorophenyl)methyl]-methyl-azanium

Systemtic Name: (6-ethyl-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methyl-[(4-fluorophenyl)methyl]-methyl-azanium Openeye Name: (6-ethyl-7-hydroxy-4-methyl-2-oxo-chromen-8-yl)methyl-[(4-fluorophenyl)methyl]-methyl-ammonium CAS Name: (6-ethyl-7-hydroxy-4-methyl-2-oxo-1-benzopyran-8-yl)methyl-[(4-fluorophenyl)methyl]-methylammonium IUPAC Name: (6-ethyl-7-hydroxy-4-methyl-2-oxochromen-8-yl)methyl-[(4-fluorophenyl)methyl]-methylazanium Traditional Name: (6-ethyl-7-hydroxy-2-keto-4-methyl-chromen-8-yl)methyl-(4-fluorobenzyl)-methyl-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)C[NH+](C)CC3=CC=C(C=C3)F)O

Isomeric SMILES

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

InChI

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