[3-(2-bromanylphenoxy)-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methyl-diethyl-azanium

Systemtic Name: [3-(2-bromanylphenoxy)-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methyl-diethyl-azanium Openeye Name: [3-(2-bromophenoxy)-7-hydroxy-4-oxo-chromen-8-yl]methyl-diethyl-ammonium CAS Name: [3-(2-bromophenoxy)-7-hydroxy-4-oxo-1-benzopyran-8-yl]methyl-diethylammonium IUPAC Name: [3-(2-bromophenoxy)-7-hydroxy-4-oxochromen-8-yl]methyl-diethylazanium Traditional Name: [3-(2-bromophenoxy)-7-hydroxy-4-keto-chromen-8-yl]methyl-diethyl-ammonium Formula: C20H21BrNO4+ MolecularWeight: 419.28904

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=C(C=CC2=C1OC=C(C2=O)OC3=CC=CC=C3Br)O

Isomeric SMILES

CC[NH+](CC)CC1=C(C=CC2=C1OC=C(C2=O)OC3=CC=CC=C3Br)O

InChI

InChI=1S/C20H20BrNO4/c1-3-22(4-2)11-14-16(23)10-9-13-19(24)18(12-25-20(13)14)26-17-8-6-5-7-15(17)21/h5-10,12,23H,3-4,11H2,1-2H3/p+1