4,5-dibutyl-3-[[3-tert-butyl-5-(chloromethyl)phenyl]methyl]-1H-imidazol-3-ium chloride

Systemtic Name: 4,5-dibutyl-3-[[3-tert-butyl-5-(chloromethyl)phenyl]methyl]-1H-imidazol-3-ium chloride Openeye Name: 4,5-dibutyl-3-[[3-tert-butyl-5-(chloromethyl)phenyl]methyl]-1H-imidazol-3-ium chloride CAS Name: 4,5-dibutyl-3-[[3-tert-butyl-5-(chloromethyl)phenyl]methyl]-1H-imidazol-3-ium chloride IUPAC Name: 4,5-dibutyl-3-[[3-tert-butyl-5-(chloromethyl)phenyl]methyl]-1H-imidazol-3-ium chloride Traditional Name: 4,5-dibutyl-3-[3-tert-butyl-5-(chloromethyl)benzyl]-1H-imidazol-3-ium chloride Formula: C23H36Cl2N2 MolecularWeight: 411.45134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C([N+](=CN1)CC2=CC(=CC(=C2)C(C)(C)C)CCl)CCCC.[Cl-]

Isomeric SMILES

CCCCC1=C([N+](=CN1)CC2=CC(=CC(=C2)C(C)(C)C)CCl)CCCC.[Cl-]

InChI

InChI=1S/C23H35ClN2.ClH/c1-6-8-10-21-22(11-9-7-2)26(17-25-21)16-19-12-18(15-24)13-20(14-19)23(3,4)5;/h12-14,17H,6-11,15-16H2,1-5H3;1H