4,5-bis(3,4-dimethoxyphenyl)-2-methyl-1,2-oxazol-2-ium tetrafluoroborate

Systemtic Name: 4,5-bis(3,4-dimethoxyphenyl)-2-methyl-1,2-oxazol-2-ium tetrafluoroborate Openeye Name: 4,5-bis(3,4-dimethoxyphenyl)-2-methyl-isoxazol-2-ium tetrafluoroborate CAS Name: 4,5-bis(3,4-dimethoxyphenyl)-2-methylisoxazol-2-ium tetrafluoroborate IUPAC Name: 4,5-bis(3,4-dimethoxyphenyl)-2-methyl-1,2-oxazol-2-ium tetrafluoroborate Traditional Name: 4,5-bis(3,4-dimethoxyphenyl)-2-methyl-isoxazol-2-ium tetrafluoroborate Formula: C20H22BF4NO5 MolecularWeight: 443.196993

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.C[N+]1=CC(=C(O1)C2=CC(=C(C=C2)OC)OC)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

[B-](F)(F)(F)F.C[N+]1=CC(=C(O1)C2=CC(=C(C=C2)OC)OC)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C20H22NO5.BF4/c1-21-12-15(13-6-8-16(22-2)18(10-13)24-4)20(26-21)14-7-9-17(23-3)19(11-14)25-5;2-1(3,4)5/h6-12H,1-5H3;/q+1;-1