3-(4-bromanyl-7-oxidanylidene-furo[3,2-g]chromen-9-yl)oxypropyl-triethyl-azanium chloride

Systemtic Name: 3-(4-bromanyl-7-oxidanylidene-furo[3,2-g]chromen-9-yl)oxypropyl-triethyl-azanium chloride Openeye Name: 3-(4-bromo-7-oxo-furo[3,2-g]chromen-9-yl)oxypropyl-triethyl-ammonium chloride CAS Name: 3-[(4-bromo-7-oxo-9-furo[3,2-g][1]benzopyranyl)oxy]propyl-triethylammonium chloride IUPAC Name: 3-(4-bromo-7-oxofuro[3,2-g]chromen-9-yl)oxypropyl-triethylazanium chloride Traditional Name: 3-(4-bromo-7-keto-furo[3,2-g]chromen-9-yl)oxypropyl-triethyl-ammonium chloride Formula: C20H25BrClNO4 MolecularWeight: 458.7738

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CC)CCCOC1=C2C(=C(C3=C1OC(=O)C=C3)Br)C=CO2.[Cl-]

Isomeric SMILES

CC[N+](CC)(CC)CCCOC1=C2C(=C(C3=C1OC(=O)C=C3)Br)C=CO2.[Cl-]

InChI

InChI=1S/C20H25BrNO4.ClH/c1-4-22(5-2,6-3)11-7-12-24-20-18-15(10-13-25-18)17(21)14-8-9-16(23)26-19(14)20;/h8-10,13H,4-7,11-12H2,1-3H3;1H/q+1;/p-1