tert-butyl 2-(2-chloranyl-3-methyl-imidazol-3-ium-1-yl)ethanoate tetrafluoroborate

Systemtic Name: tert-butyl 2-(2-chloranyl-3-methyl-imidazol-3-ium-1-yl)ethanoate tetrafluoroborate Openeye Name: tert-butyl 2-(2-chloro-3-methyl-imidazol-3-ium-1-yl)acetate tetrafluoroborate CAS Name: 2-(2-chloro-3-methyl-1-imidazol-3-iumyl)acetic acid tert-butyl ester tetrafluoroborate IUPAC Name: tert-butyl 2-(2-chloro-3-methylimidazol-3-ium-1-yl)acetate tetrafluoroborate Traditional Name: 2-(2-chloro-3-methyl-imidazol-3-ium-1-yl)acetic acid tert-butyl ester tetrafluoroborate Formula: C10H16BClF4N2O2 MolecularWeight: 318.503853

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC(C)(C)OC(=O)CN1C=C[N+](=C1Cl)C

Isomeric SMILES

[B-](F)(F)(F)F.CC(C)(C)OC(=O)CN1C=C[N+](=C1Cl)C

InChI

InChI=1S/C10H16ClN2O2.BF4/c1-10(2,3)15-8(14)7-13-6-5-12(4)9(13)11;2-1(3,4)5/h5-6H,7H2,1-4H3;/q+1;-1