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

Systemtic Name: cyclopropyl-[(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]-[(4-fluorophenyl)methyl]azanium Openeye Name: cyclopropyl-[(6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl]-[(4-fluorophenyl)methyl]ammonium CAS Name: cyclopropyl-[(6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl]-[(4-fluorophenyl)methyl]ammonium IUPAC Name: cyclopropyl-[(6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl]-[(4-fluorophenyl)methyl]azanium Traditional Name: cyclopropyl-[(6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl]-(4-fluorobenzyl)ammonium Formula: C22H23FNO3+ MolecularWeight: 368.421323

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+](CC3=CC=C(C=C3)F)C4CC4)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+](CC3=CC=C(C=C3)F)C4CC4)O

InChI

InChI=1S/C22H22FNO3/c1-2-15-9-19-16(10-22(26)27-21(19)11-20(15)25)13-24(18-7-8-18)12-14-3-5-17(23)6-4-14/h3-6,9-11,18,25H,2,7-8,12-13H2,1H3/p+1