(6-methyl-2-phenyl-chromen-4-ylidene)-(4-pyridin-3-ylcarbonyloxyphenyl)azanium tetrafluoroborate

Systemtic Name: (6-methyl-2-phenyl-chromen-4-ylidene)-(4-pyridin-3-ylcarbonyloxyphenyl)azanium tetrafluoroborate Openeye Name: (6-methyl-2-phenyl-chromen-4-ylidene)-[4-(pyridine-3-carbonyloxy)phenyl]ammonium tetrafluoroborate CAS Name: (6-methyl-2-phenyl-1-benzopyran-4-ylidene)-[4-[oxo(3-pyridinyl)methoxy]phenyl]ammonium tetrafluoroborate IUPAC Name: (6-methyl-2-phenylchromen-4-ylidene)-[4-(pyridine-3-carbonyloxy)phenyl]azanium tetrafluoroborate Traditional Name: (6-methyl-2-phenyl-chromen-4-ylidene)-(4-nicotinoyloxyphenyl)ammonium tetrafluoroborate Formula: C28H21BF4N2O3 MolecularWeight: 520.282553

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC1=CC2=C(C=C1)OC(=CC2=[NH+]C3=CC=C(C=C3)OC(=O)C4=CN=CC=C4)C5=CC=CC=C5

Isomeric SMILES

[B-](F)(F)(F)F.CC1=CC2=C(C=C1)OC(=CC2=[NH+]C3=CC=C(C=C3)OC(=O)C4=CN=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H20N2O3.BF4/c1-19-9-14-26-24(16-19)25(17-27(33-26)20-6-3-2-4-7-20)30-22-10-12-23(13-11-22)32-28(31)21-8-5-15-29-18-21;2-1(3,4)5/h2-18H,1H3;/q;-1/p+1