2-(3-methylimidazol-3-ium-1-yl)ethyl 2-[1-(tert-butylcarbamoyl)-3-oxidanylidene-1H-isoindol-2-yl]ethanoate tetrafluoroborate

Systemtic Name: 2-(3-methylimidazol-3-ium-1-yl)ethyl 2-[1-(tert-butylcarbamoyl)-3-oxidanylidene-1H-isoindol-2-yl]ethanoate tetrafluoroborate Openeye Name: 2-(3-methylimidazol-3-ium-1-yl)ethyl 2-[1-(tert-butylcarbamoyl)-3-oxo-isoindolin-2-yl]acetate tetrafluoroborate CAS Name: 2-[1-[(tert-butylamino)-oxomethyl]-3-oxo-1H-isoindol-2-yl]acetic acid 2-(3-methyl-1-imidazol-3-iumyl)ethyl ester tetrafluoroborate IUPAC Name: 2-(3-methylimidazol-3-ium-1-yl)ethyl 2-[1-(tert-butylcarbamoyl)-3-oxo-1H-isoindol-2-yl]acetate tetrafluoroborate Traditional Name: 2-[1-(tert-butylcarbamoyl)-3-keto-isoindolin-2-yl]acetic acid 2-(3-methylimidazol-3-ium-1-yl)ethyl ester tetrafluoroborate Formula: C21H27BF4N4O4 MolecularWeight: 486.268093

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC(C)(C)NC(=O)C1C2=CC=CC=C2C(=O)N1CC(=O)OCCN3C=C[N+](=C3)C

Isomeric SMILES

[B-](F)(F)(F)F.CC(C)(C)NC(=O)C1C2=CC=CC=C2C(=O)N1CC(=O)OCCN3C=C[N+](=C3)C

InChI

InChI=1S/C21H26N4O4.BF4/c1-21(2,3)22-19(27)18-15-7-5-6-8-16(15)20(28)25(18)13-17(26)29-12-11-24-10-9-23(4)14-24;2-1(3,4)5/h5-10,14,18H,11-13H2,1-4H3;/q;-1/p+1