2-[3-[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-1-yl]-1-phenyl-ethanone chloride

Systemtic Name: 2-[3-[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-1-yl]-1-phenyl-ethanone chloride Openeye Name: 2-[3-(2,6-diisopropylphenyl)imidazol-1-ium-1-yl]-1-phenyl-ethanone chloride CAS Name: 2-[3-[2,6-di(propan-2-yl)phenyl]-1-imidazol-1-iumyl]-1-phenylethanone chloride IUPAC Name: 2-[3-[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-1-yl]-1-phenylethanone chloride Traditional Name: 2-[3-(2,6-diisopropylphenyl)imidazol-1-ium-1-yl]-1-phenyl-ethanone chloride Formula: C23H27ClN2O MolecularWeight: 382.92628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)N2C=C[N+](=C2)CC(=O)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)N2C=C[N+](=C2)CC(=O)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C23H27N2O.ClH/c1-17(2)20-11-8-12-21(18(3)4)23(20)25-14-13-24(16-25)15-22(26)19-9-6-5-7-10-19;/h5-14,16-18H,15H2,1-4H3;1H/q+1;/p-1