5,7-diethoxy-3-(1-methylpyridin-1-ium-3-yl)carbonyl-chromen-2-one tetrafluoroborate

Systemtic Name: 5,7-diethoxy-3-(1-methylpyridin-1-ium-3-yl)carbonyl-chromen-2-one tetrafluoroborate Openeye Name: 5,7-diethoxy-3-(1-methylpyridin-1-ium-3-carbonyl)chromen-2-one tetrafluoroborate CAS Name: 5,7-diethoxy-3-[(1-methyl-3-pyridin-1-iumyl)-oxomethyl]-1-benzopyran-2-one tetrafluoroborate IUPAC Name: 5,7-diethoxy-3-(1-methylpyridin-1-ium-3-carbonyl)chromen-2-one tetrafluoroborate Traditional Name: 5,7-diethoxy-3-(1-methylpyridin-1-ium-3-carbonyl)coumarin tetrafluoroborate Formula: C20H20BF4NO5 MolecularWeight: 441.181113

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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)C)OCC

Isomeric SMILES

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

InChI

InChI=1S/C20H20NO5.BF4/c1-4-24-14-9-17(25-5-2)15-11-16(20(23)26-18(15)10-14)19(22)13-7-6-8-21(3)12-13;2-1(3,4)5/h6-12H,4-5H2,1-3H3;/q+1;-1