2-(3-methylimidazol-3-ium-1-yl)ethyl 4-(2-methanoylphenoxy)butanoate tetrafluoroborate

Systemtic Name: 2-(3-methylimidazol-3-ium-1-yl)ethyl 4-(2-methanoylphenoxy)butanoate tetrafluoroborate Openeye Name: 2-(3-methylimidazol-3-ium-1-yl)ethyl 4-(2-formylphenoxy)butanoate tetrafluoroborate CAS Name: 4-(2-formylphenoxy)butanoic acid 2-(3-methyl-1-imidazol-3-iumyl)ethyl ester tetrafluoroborate IUPAC Name: 2-(3-methylimidazol-3-ium-1-yl)ethyl 4-(2-formylphenoxy)butanoate tetrafluoroborate Traditional Name: 4-(2-formylphenoxy)butyric acid 2-(3-methylimidazol-3-ium-1-yl)ethyl ester tetrafluoroborate Formula: C17H21BF4N2O4 MolecularWeight: 404.164253

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.C[N+]1=CN(C=C1)CCOC(=O)CCCOC2=CC=CC=C2C=O

Isomeric SMILES

[B-](F)(F)(F)F.C[N+]1=CN(C=C1)CCOC(=O)CCCOC2=CC=CC=C2C=O

InChI

InChI=1S/C17H21N2O4.BF4/c1-18-8-9-19(14-18)10-12-23-17(21)7-4-11-22-16-6-3-2-5-15(16)13-20;2-1(3,4)5/h2-3,5-6,8-9,13-14H,4,7,10-12H2,1H3;/q+1;-1