3-[4-(dimethylamino)pyridin-1-ium-1-yl]chromen-2-one tetrafluoroborate

Systemtic Name: 3-[4-(dimethylamino)pyridin-1-ium-1-yl]chromen-2-one tetrafluoroborate Openeye Name: 3-[4-(dimethylamino)pyridin-1-ium-1-yl]chromen-2-one tetrafluoroborate CAS Name: 3-[4-(dimethylamino)-1-pyridin-1-iumyl]-1-benzopyran-2-one tetrafluoroborate IUPAC Name: 3-[4-(dimethylamino)pyridin-1-ium-1-yl]chromen-2-one tetrafluoroborate Traditional Name: 3-[4-(dimethylamino)pyridin-1-ium-1-yl]coumarin tetrafluoroborate Formula: C16H15BF4N2O2 MolecularWeight: 354.107113

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CN(C)C1=CC=[N+](C=C1)C2=CC3=CC=CC=C3OC2=O

Isomeric SMILES

[B-](F)(F)(F)F.CN(C)C1=CC=[N+](C=C1)C2=CC3=CC=CC=C3OC2=O

InChI

InChI=1S/C16H15N2O2.BF4/c1-17(2)13-7-9-18(10-8-13)14-11-12-5-3-4-6-15(12)20-16(14)19;2-1(3,4)5/h3-11H,1-2H3;/q+1;-1