2-(3-methylimidazol-3-ium-1-yl)ethyl 4-[(2-methoxyphenyl)iminomethyl]benzoate hexafluorophosphate

Systemtic Name: 2-(3-methylimidazol-3-ium-1-yl)ethyl 4-[(2-methoxyphenyl)iminomethyl]benzoate hexafluorophosphate Openeye Name: 2-(3-methylimidazol-3-ium-1-yl)ethyl 4-[(2-methoxyphenyl)iminomethyl]benzoate hexafluorophosphate CAS Name: 4-[(2-methoxyphenyl)iminomethyl]benzoic acid 2-(3-methyl-1-imidazol-3-iumyl)ethyl ester hexafluorophosphate IUPAC Name: 2-(3-methylimidazol-3-ium-1-yl)ethyl 4-[(2-methoxyphenyl)iminomethyl]benzoate hexafluorophosphate Traditional Name: 4-[(2-methoxyphenyl)iminomethyl]benzoic acid 2-(3-methylimidazol-3-ium-1-yl)ethyl ester hexafluorophosphate Formula: C21H22F6N3O3P MolecularWeight: 509.38186

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CCOC(=O)C2=CC=C(C=C2)C=NC3=CC=CC=C3OC.F[P-](F)(F)(F)(F)F

Isomeric SMILES

C[N+]1=CN(C=C1)CCOC(=O)C2=CC=C(C=C2)C=NC3=CC=CC=C3OC.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C21H22N3O3.F6P/c1-23-11-12-24(16-23)13-14-27-21(25)18-9-7-17(8-10-18)15-22-19-5-3-4-6-20(19)26-2;1-7(2,3,4,5)6/h3-12,15-16H,13-14H2,1-2H3;/q+1;-1