[3-(5,7-diethoxy-2-oxidanylidene-chromen-3-yl)carbonylpyridin-2-yl]-methyl-azanium tetrafluoroborate

Systemtic Name: [3-(5,7-diethoxy-2-oxidanylidene-chromen-3-yl)carbonylpyridin-2-yl]-methyl-azanium tetrafluoroborate Openeye Name: [3-(5,7-diethoxy-2-oxo-chromene-3-carbonyl)-2-pyridyl]-methyl-ammonium tetrafluoroborate CAS Name: [3-[(5,7-diethoxy-2-oxo-1-benzopyran-3-yl)-oxomethyl]-2-pyridinyl]-methylammonium tetrafluoroborate IUPAC Name: [3-(5,7-diethoxy-2-oxochromene-3-carbonyl)pyridin-2-yl]-methylazanium tetrafluoroborate Traditional Name: [3-(5,7-diethoxy-2-keto-chromene-3-carbonyl)-2-pyridyl]-methyl-ammonium tetrafluoroborate Formula: C20H21BF4N2O5 MolecularWeight: 456.195753

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CCOC1=CC(=C2C=C(C(=O)OC2=C1)C(=O)C3=C(N=CC=C3)[NH2+]C)OCC

Isomeric SMILES

[B-](F)(F)(F)F.CCOC1=CC(=C2C=C(C(=O)OC2=C1)C(=O)C3=C(N=CC=C3)[NH2+]C)OCC

InChI

InChI=1S/C20H20N2O5.BF4/c1-4-25-12-9-16(26-5-2)14-11-15(20(24)27-17(14)10-12)18(23)13-7-6-8-22-19(13)21-3;2-1(3,4)5/h6-11H,4-5H2,1-3H3,(H,21,22);/q;-1/p+1