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

Systemtic Name: [3-(4-bromophenyl)-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methyl-diethyl-azanium Openeye Name: [3-(4-bromophenyl)-7-hydroxy-4-oxo-chromen-8-yl]methyl-diethyl-ammonium CAS Name: [3-(4-bromophenyl)-7-hydroxy-4-oxo-1-benzopyran-8-yl]methyl-diethylammonium IUPAC Name: [3-(4-bromophenyl)-7-hydroxy-4-oxochromen-8-yl]methyl-diethylazanium Traditional Name: [3-(4-bromophenyl)-7-hydroxy-4-keto-chromen-8-yl]methyl-diethyl-ammonium Formula: C20H21BrNO3+ MolecularWeight: 403.28964

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=C(C=CC2=C1OC=C(C2=O)C3=CC=C(C=C3)Br)O

Isomeric SMILES

CC[NH+](CC)CC1=C(C=CC2=C1OC=C(C2=O)C3=CC=C(C=C3)Br)O

InChI

InChI=1S/C20H20BrNO3/c1-3-22(4-2)11-16-18(23)10-9-15-19(24)17(12-25-20(15)16)13-5-7-14(21)8-6-13/h5-10,12,23H,3-4,11H2,1-2H3/p+1