4-octadecyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-9-ium tetrafluoroborate

Systemtic Name: 4-octadecyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-9-ium tetrafluoroborate Openeye Name: 4-octadecyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-9-ium tetrafluoroborate CAS Name: 4-octadecyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-9-ium tetrafluoroborate IUPAC Name: 4-octadecyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-9-ium tetrafluoroborate Traditional Name: 4-stearyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-9-ium tetrafluoroborate Formula: C28H47BF4N2 MolecularWeight: 498.490793

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CCCCCCCCCCCCCCCCCCN1C2=[N+](CCC2)C3=CC=CC=C31

Isomeric SMILES

[B-](F)(F)(F)F.CCCCCCCCCCCCCCCCCCN1C2=[N+](CCC2)C3=CC=CC=C31

InChI

InChI=1S/C28H47N2.BF4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-29-26-21-17-18-22-27(26)30-25-20-23-28(29)30;2-1(3,4)5/h17-18,21-22H,2-16,19-20,23-25H2,1H3;/q+1;-1