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

Systemtic Name: 2-(3-methylimidazol-3-ium-1-yl)ethyl 4-iodanylbenzoate tetrafluoroborate Openeye Name: 2-(3-methylimidazol-3-ium-1-yl)ethyl 4-iodobenzoate tetrafluoroborate CAS Name: 4-iodobenzoic acid 2-(3-methyl-1-imidazol-3-iumyl)ethyl ester tetrafluoroborate IUPAC Name: 2-(3-methylimidazol-3-ium-1-yl)ethyl 4-iodobenzoate tetrafluoroborate Traditional Name: 4-iodobenzoic acid 2-(3-methylimidazol-3-ium-1-yl)ethyl ester tetrafluoroborate Formula: C13H14BF4IN2O2 MolecularWeight: 443.971543

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.C[N+]1=CN(C=C1)CCOC(=O)C2=CC=C(C=C2)I

Isomeric SMILES

[B-](F)(F)(F)F.C[N+]1=CN(C=C1)CCOC(=O)C2=CC=C(C=C2)I

InChI

InChI=1S/C13H14IN2O2.BF4/c1-15-6-7-16(10-15)8-9-18-13(17)11-2-4-12(14)5-3-11;2-1(3,4)5/h2-7,10H,8-9H2,1H3;/q+1;-1