2-Benzylimidazo[1,5-a]quinolinium hexafluorophosphate

Catalog Number	ACM849797791-2
CAS	849797-79-1
Structure
Synonyms	2-(Phenylmethyl)-imidazo[1,5-a]quinolinium hexafluorophosphate
IUPAC Name	2-benzylimidazo[1,5-a]quinolin-2-ium;hexafluorophosphate
Molecular Weight	404.29
Molecular Formula	C18H15F6N2P
Canonical SMILES	C1=CC=C(C=C1)C[N+]2=CN3C(=C2)C=CC4=CC=CC=C43.F[P-](F)(F)(F)(F)F;
InChI	VOHJHJRDNQUECO-UHFFFAOYSA-N
InChI Key	InChI=1S/C18H15N2.F6P/c1-2-6-15(7-3-1)12-19-13-17-11-10-16-8-4-5-9-18(16)20(17)14-19;1-7(2,3,4,5)6/h1-11,13-14H,12H2;/q+1;-1
Melting Point	148-150 °C
Purity	98%
Complexity	386
Covalently-Bonded Unit Count	2
Exact Mass	404.088g/mol
Heavy Atom Count	27
Isomeric SMILES	C1=CC=C(C=C1)C[N+]2=CN3C(=C2)C=CC4=CC=CC=C43.F[P-](F)(F)(F)(F)F
Monoisotopic Mass	404.088g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	8.3A^2