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

Systemtic Name: 3-[[3-tert-butyl-5-(chloromethyl)phenyl]methyl]-1H-imidazol-3-ium chloride Openeye Name: 3-[[3-tert-butyl-5-(chloromethyl)phenyl]methyl]-1H-imidazol-3-ium chloride CAS Name: 3-[[3-tert-butyl-5-(chloromethyl)phenyl]methyl]-1H-imidazol-3-ium chloride IUPAC Name: 3-[[3-tert-butyl-5-(chloromethyl)phenyl]methyl]-1H-imidazol-3-ium chloride Traditional Name: 3-[3-tert-butyl-5-(chloromethyl)benzyl]-1H-imidazol-3-ium chloride Formula: C15H20Cl2N2 MolecularWeight: 299.2387

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)CCl)C[N+]2=CNC=C2.[Cl-]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)CCl)C[N+]2=CNC=C2.[Cl-]

InChI

InChI=1S/C15H19ClN2.ClH/c1-15(2,3)14-7-12(9-16)6-13(8-14)10-18-5-4-17-11-18;/h4-8,11H,9-10H2,1-3H3;1H