4-[[2-[(4-tert-butyl-2,6-dimethyl-phenyl)methyl]-4,5-dihydro-1H-imidazol-3-ium-3-yl]carbonyl]-N,N-diethyl-benzenesulfonamide

Systemtic Name: 4-[[2-[(4-tert-butyl-2,6-dimethyl-phenyl)methyl]-4,5-dihydro-1H-imidazol-3-ium-3-yl]carbonyl]-N,N-diethyl-benzenesulfonamide Openeye Name: 4-[2-[(4-tert-butyl-2,6-dimethyl-phenyl)methyl]-4,5-dihydro-1H-imidazol-3-ium-3-carbonyl]-N,N-diethyl-benzenesulfonamide CAS Name: 4-[[2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazol-3-ium-3-yl]-oxomethyl]-N,N-diethylbenzenesulfonamide IUPAC Name: 4-[2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazol-3-ium-3-carbonyl]-N,N-diethylbenzenesulfonamide Traditional Name: 4-[2-(4-tert-butyl-2,6-dimethyl-benzyl)-2-imidazolin-1-ium-1-carbonyl]-N,N-diethyl-benzenesulfonamide Formula: C27H38N3O3S+ MolecularWeight: 484.67392

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)[N+]2=C(NCC2)CC3=C(C=C(C=C3C)C(C)(C)C)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)[N+]2=C(NCC2)CC3=C(C=C(C=C3C)C(C)(C)C)C

InChI

InChI=1S/C27H37N3O3S/c1-8-29(9-2)34(32,33)23-12-10-21(11-13-23)26(31)30-15-14-28-25(30)18-24-19(3)16-22(17-20(24)4)27(5,6)7/h10-13,16-17H,8-9,14-15,18H2,1-7H3/p+1