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

Systemtic Name: (6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl-[(2-fluorophenyl)methyl]-methyl-azanium Openeye Name: (6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl-[(2-fluorophenyl)methyl]-methyl-ammonium CAS Name: (6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl-[(2-fluorophenyl)methyl]-methylammonium IUPAC Name: (6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl-[(2-fluorophenyl)methyl]-methylazanium Traditional Name: (6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl-(2-fluorobenzyl)-methyl-ammonium Formula: C20H21FNO3+ MolecularWeight: 342.384043

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+](C)CC3=CC=CC=C3F)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+](C)CC3=CC=CC=C3F)O

InChI

InChI=1S/C20H20FNO3/c1-3-13-8-16-15(9-20(24)25-19(16)10-18(13)23)12-22(2)11-14-6-4-5-7-17(14)21/h4-10,23H,3,11-12H2,1-2H3/p+1