2-[(4-tert-butyl-2,6-dimethyl-phenyl)methyl]-4,5-dihydro-1H-imidazol-1-ium chloride

Systemtic Name: 2-[(4-tert-butyl-2,6-dimethyl-phenyl)methyl]-4,5-dihydro-1H-imidazol-1-ium chloride Openeye Name: 2-[(4-tert-butyl-2,6-dimethyl-phenyl)methyl]-4,5-dihydro-1H-imidazol-1-ium chloride CAS Name: 2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazol-1-ium chloride IUPAC Name: 2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazol-1-ium chloride Traditional Name: 2-(4-tert-butyl-2,6-dimethyl-benzyl)-2-imidazolin-1-ium chloride Formula: C16H25ClN2 MolecularWeight: 280.8361

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CC2=NCC[NH2+]2)C)C(C)(C)C.[Cl-]

Isomeric SMILES

CC1=CC(=CC(=C1CC2=NCC[NH2+]2)C)C(C)(C)C.[Cl-]

InChI

InChI=1S/C16H24N2.ClH/c1-11-8-13(16(3,4)5)9-12(2)14(11)10-15-17-6-7-18-15;/h8-9H,6-7,10H2,1-5H3,(H,17,18);1H