1-methyl-3-octyl-imidazol-1-ium bromide tetrafluoroborate

Systemtic Name: 1-methyl-3-octyl-imidazol-1-ium bromide tetrafluoroborate Openeye Name: 1-methyl-3-octyl-imidazol-1-ium bromide tetrafluoroborate CAS Name: 1-methyl-3-octylimidazol-1-ium bromide tetrafluoroborate IUPAC Name: 1-methyl-3-octylimidazol-1-ium bromide tetrafluoroborate Traditional Name: 1-methyl-3-octyl-imidazol-1-ium bromide tetrafluoroborate Formula: C24H46BBrF4N4 MolecularWeight: 557.357453

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CCCCCCCCN1C=C[N+](=C1)C.CCCCCCCCN1C=C[N+](=C1)C.[Br-]

Isomeric SMILES

[B-](F)(F)(F)F.CCCCCCCCN1C=C[N+](=C1)C.CCCCCCCCN1C=C[N+](=C1)C.[Br-]

InChI

InChI=1S/2C12H23N2.BF4.BrH/c2*1-3-4-5-6-7-8-9-14-11-10-13(2)12-14;2-1(3,4)5;/h2*10-12H,3-9H2,1-2H3;;1H/q2*+1;-1;/p-1