2-(3-methylimidazol-3-ium-1-yl)ethyl 2-oxidanyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate hexafluorophosphate

Systemtic Name: 2-(3-methylimidazol-3-ium-1-yl)ethyl 2-oxidanyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate hexafluorophosphate Openeye Name: 2-(3-methylimidazol-3-ium-1-yl)ethyl 2-hydroxy-1,3-dioxo-isoindoline-5-carboxylate hexafluorophosphate CAS Name: 2-hydroxy-1,3-dioxo-5-isoindolecarboxylic acid 2-(3-methyl-1-imidazol-3-iumyl)ethyl ester hexafluorophosphate IUPAC Name: 2-(3-methylimidazol-3-ium-1-yl)ethyl 2-hydroxy-1,3-dioxoisoindole-5-carboxylate hexafluorophosphate Traditional Name: 2-hydroxy-1,3-diketo-isoindoline-5-carboxylic acid 2-(3-methylimidazol-3-ium-1-yl)ethyl ester hexafluorophosphate Formula: C15H14F6N3O5P MolecularWeight: 461.25294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CCOC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)O.F[P-](F)(F)(F)(F)F

Isomeric SMILES

C[N+]1=CN(C=C1)CCOC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)O.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C15H14N3O5.F6P/c1-16-4-5-17(9-16)6-7-23-15(21)10-2-3-11-12(8-10)14(20)18(22)13(11)19;1-7(2,3,4,5)6/h2-5,8-9,22H,6-7H2,1H3;/q+1;-1