1-butyl-3-[(1S)-1-cyclohexylethyl]benzimidazol-1-ium tetrafluoroborate

Systemtic Name: 1-butyl-3-[(1S)-1-cyclohexylethyl]benzimidazol-1-ium tetrafluoroborate Openeye Name: 1-butyl-3-[(1S)-1-cyclohexylethyl]benzimidazol-1-ium tetrafluoroborate CAS Name: 1-butyl-3-[(1S)-1-cyclohexylethyl]benzimidazol-1-ium tetrafluoroborate IUPAC Name: 1-butyl-3-[(1S)-1-cyclohexylethyl]benzimidazol-1-ium tetrafluoroborate Traditional Name: 1-butyl-3-[(1S)-1-cyclohexylethyl]benzimidazol-1-ium tetrafluoroborate Formula: C19H29BF4N2 MolecularWeight: 372.251573

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CCCC[N+]1=CN(C2=CC=CC=C21)C(C)C3CCCCC3

Isomeric SMILES

[B-](F)(F)(F)F.CCCC[N+]1=CN(C2=CC=CC=C21)[C@@H](C)C3CCCCC3

InChI

InChI=1S/C19H29N2.BF4/c1-3-4-14-20-15-21(19-13-9-8-12-18(19)20)16(2)17-10-6-5-7-11-17;2-1(3,4)5/h8-9,12-13,15-17H,3-7,10-11,14H2,1-2H3;/q+1;-1/t16-;/m0./s1