1-[[3-tert-butyl-5-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methyl]-3-methyl-imidazol-3-ium

Systemtic Name: 1-[[3-tert-butyl-5-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methyl]-3-methyl-imidazol-3-ium Openeye Name: 1-[[3-tert-butyl-5-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methyl]-3-methyl-imidazol-3-ium CAS Name: 1-[[3-tert-butyl-5-[(3-methyl-1-imidazol-3-iumyl)methyl]phenyl]methyl]-3-methylimidazol-3-ium IUPAC Name: 1-[[3-tert-butyl-5-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methyl]-3-methylimidazol-3-ium Traditional Name: 1-[3-tert-butyl-5-[(3-methylimidazol-3-ium-1-yl)methyl]benzyl]-3-methyl-imidazol-3-ium Formula: C20H28N4+2 MolecularWeight: 324.46312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)CN2C=C[N+](=C2)C)CN3C=C[N+](=C3)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)CN2C=C[N+](=C2)C)CN3C=C[N+](=C3)C

InChI

InChI=1S/C20H28N4/c1-20(2,3)19-11-17(13-23-8-6-21(4)15-23)10-18(12-19)14-24-9-7-22(5)16-24/h6-12,15-16H,13-14H2,1-5H3/q+2