3-[(3-tert-butyl-4-methoxy-phenyl)methyl]-1H-imidazol-3-ium; 4-methylbenzenesulfonate

Systemtic Name: 3-[(3-tert-butyl-4-methoxy-phenyl)methyl]-1H-imidazol-3-ium; 4-methylbenzenesulfonate Openeye Name: 3-[(3-tert-butyl-4-methoxy-phenyl)methyl]-1H-imidazol-3-ium; 4-methylbenzenesulfonate CAS Name: 3-[(3-tert-butyl-4-methoxyphenyl)methyl]-1H-imidazol-3-ium; 4-methylbenzenesulfonate IUPAC Name: 3-[(3-tert-butyl-4-methoxyphenyl)methyl]-1H-imidazol-3-ium; 4-methylbenzenesulfonate Traditional Name: 3-(3-tert-butyl-4-methoxy-benzyl)-1H-imidazol-3-ium tosylate Formula: C22H28N2O4S MolecularWeight: 416.53372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C)(C)C1=C(C=CC(=C1)C[N+]2=CNC=C2)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C)(C)C1=C(C=CC(=C1)C[N+]2=CNC=C2)OC

InChI

InChI=1S/C15H20N2O.C7H8O3S/c1-15(2,3)13-9-12(5-6-14(13)18-4)10-17-8-7-16-11-17;1-6-2-4-7(5-3-6)11(8,9)10/h5-9,11H,10H2,1-4H3;2-5H,1H3,(H,8,9,10)