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

Systemtic Name: [3-(4-fluorophenyl)-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methyl-(3-methoxypropyl)azanium Openeye Name: [3-(4-fluorophenyl)-7-hydroxy-4-oxo-chromen-8-yl]methyl-(3-methoxypropyl)ammonium CAS Name: [3-(4-fluorophenyl)-7-hydroxy-4-oxo-1-benzopyran-8-yl]methyl-(3-methoxypropyl)ammonium IUPAC Name: [3-(4-fluorophenyl)-7-hydroxy-4-oxochromen-8-yl]methyl-(3-methoxypropyl)azanium Traditional Name: [3-(4-fluorophenyl)-7-hydroxy-4-keto-chromen-8-yl]methyl-(3-methoxypropyl)ammonium Formula: C20H21FNO4+ MolecularWeight: 358.383443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20FNO4/c1-25-10-2-9-22-11-16-18(23)8-7-15-19(24)17(12-26-20(15)16)13-3-5-14(21)6-4-13/h3-8,12,22-23H,2,9-11H2,1H3/p+1