4-[(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)methyl]benzene-1,2-diol tetrafluoroborate

Systemtic Name: 4-[(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)methyl]benzene-1,2-diol tetrafluoroborate Openeye Name: 4-[(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)methyl]benzene-1,2-diol tetrafluoroborate CAS Name: 4-[(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)methyl]benzene-1,2-diol tetrafluoroborate IUPAC Name: 4-[(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)methyl]benzene-1,2-diol tetrafluoroborate Traditional Name: 4-[(1,3-dimethyl-2-imidazolin-1-ium-2-yl)methyl]pyrocatechol tetrafluoroborate Formula: C12H17BF4N2O2 MolecularWeight: 308.080193

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CN1CC[N+](=C1CC2=CC(=C(C=C2)O)O)C

Isomeric SMILES

[B-](F)(F)(F)F.CN1CC[N+](=C1CC2=CC(=C(C=C2)O)O)C

InChI

InChI=1S/C12H16N2O2.BF4/c1-13-5-6-14(2)12(13)8-9-3-4-10(15)11(16)7-9;2-1(3,4)5/h3-4,7H,5-6,8H2,1-2H3,(H-,15,16);/q;-1/p+1