2-(3-methylimidazol-3-ium-1-yl)ethyl 2-cyanoethanoate tetrafluoroborate

Systemtic Name: 2-(3-methylimidazol-3-ium-1-yl)ethyl 2-cyanoethanoate tetrafluoroborate Openeye Name: 2-(3-methylimidazol-3-ium-1-yl)ethyl 2-cyanoacetate tetrafluoroborate CAS Name: 2-cyanoacetic acid 2-(3-methyl-1-imidazol-3-iumyl)ethyl ester tetrafluoroborate IUPAC Name: 2-(3-methylimidazol-3-ium-1-yl)ethyl 2-cyanoacetate tetrafluoroborate Traditional Name: 2-cyanoacetic acid 2-(3-methylimidazol-3-ium-1-yl)ethyl ester tetrafluoroborate Formula: C9H12BF4N3O2 MolecularWeight: 281.015093

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12N3O2.BF4/c1-11-4-5-12(8-11)6-7-14-9(13)2-3-10;2-1(3,4)5/h4-5,8H,2,6-7H2,1H3;/q+1;-1