(4R,5R)-4,5-ditert-butyl-1,3-bis[(1S)-1-phenylethyl]-4,5-dihydroimidazol-1-ium

Systemtic Name: (4R,5R)-4,5-ditert-butyl-1,3-bis[(1S)-1-phenylethyl]-4,5-dihydroimidazol-1-ium Openeye Name: (4R,5R)-4,5-ditert-butyl-1,3-bis[(1S)-1-phenylethyl]-4,5-dihydroimidazol-1-ium CAS Name: (4R,5R)-4,5-ditert-butyl-1,3-bis[(1S)-1-phenylethyl]-4,5-dihydroimidazol-1-ium IUPAC Name: (4R,5R)-4,5-ditert-butyl-1,3-bis[(1S)-1-phenylethyl]-4,5-dihydroimidazol-1-ium Traditional Name: (4R,5R)-4,5-ditert-butyl-1,3-bis[(1S)-1-phenylethyl]-2-imidazolin-1-ium Formula: C27H39N2+ MolecularWeight: 391.61196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2C=[N+](C(C2C(C)(C)C)C(C)(C)C)C(C)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)N2C=[N+]([C@@H]([C@H]2C(C)(C)C)C(C)(C)C)[C@@H](C)C3=CC=CC=C3

InChI

InChI=1S/C27H39N2/c1-20(22-15-11-9-12-16-22)28-19-29(21(2)23-17-13-10-14-18-23)25(27(6,7)8)24(28)26(3,4)5/h9-21,24-25H,1-8H3/q+1/t20-,21-,24-,25-/m0/s1