5-(1-deuteriopyridin-1-ium-4-yl)-2,2,8,8-tetramethyl-nonane-3,7-dione tetrafluoroborate

Systemtic Name: 5-(1-deuteriopyridin-1-ium-4-yl)-2,2,8,8-tetramethyl-nonane-3,7-dione tetrafluoroborate Openeye Name: 5-(1-deuteriopyridin-1-ium-4-yl)-2,2,8,8-tetramethyl-nonane-3,7-dione tetrafluoroborate CAS Name: 5-(1-deuterio-4-pyridin-1-iumyl)-2,2,8,8-tetramethylnonane-3,7-dione tetrafluoroborate IUPAC Name: 5-(1-deuteriopyridin-1-ium-4-yl)-2,2,8,8-tetramethylnonane-3,7-dione tetrafluoroborate Traditional Name: 5-(1-deuteriopyridin-1-ium-4-yl)-2,2,8,8-tetramethyl-nonane-3,7-dione tetrafluoroborate Formula: C18H28BF4NO2 MolecularWeight: 378.231195

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC(C)(C)C(=O)CC(CC(=O)C(C)(C)C)C1=CC=[NH+]C=C1

Isomeric SMILES

[2H][N+]1=CC=C(C=C1)C(CC(=O)C(C)(C)C)CC(=O)C(C)(C)C.[B-](F)(F)(F)F

InChI

InChI=1S/C18H27NO2.BF4/c1-17(2,3)15(20)11-14(12-16(21)18(4,5)6)13-7-9-19-10-8-13;2-1(3,4)5/h7-10,14H,11-12H2,1-6H3;/q;-1/p+1/i/hD