butyl-[[3-(4-fluorophenyl)-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methyl]azanium

Systemtic Name: butyl-[[3-(4-fluorophenyl)-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methyl]azanium Openeye Name: butyl-[[3-(4-fluorophenyl)-7-hydroxy-4-oxo-chromen-8-yl]methyl]ammonium CAS Name: butyl-[[3-(4-fluorophenyl)-7-hydroxy-4-oxo-1-benzopyran-8-yl]methyl]ammonium IUPAC Name: butyl-[[3-(4-fluorophenyl)-7-hydroxy-4-oxochromen-8-yl]methyl]azanium Traditional Name: butyl-[[3-(4-fluorophenyl)-7-hydroxy-4-keto-chromen-8-yl]methyl]ammonium Formula: C20H21FNO3+ MolecularWeight: 342.384043

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH2+]CC1=C(C=CC2=C1OC=C(C2=O)C3=CC=C(C=C3)F)O

Isomeric SMILES

CCCC[NH2+]CC1=C(C=CC2=C1OC=C(C2=O)C3=CC=C(C=C3)F)O

InChI

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