1,3-bis(2,6-ditert-butyl-4-methyl-phenyl)-4,5-dihydroimidazol-1-ium

Systemtic Name: 1,3-bis(2,6-ditert-butyl-4-methyl-phenyl)-4,5-dihydroimidazol-1-ium Openeye Name: 1,3-bis(2,6-ditert-butyl-4-methyl-phenyl)-4,5-dihydroimidazol-1-ium CAS Name: 1,3-bis(2,6-ditert-butyl-4-methylphenyl)-4,5-dihydroimidazol-1-ium IUPAC Name: 1,3-bis(2,6-ditert-butyl-4-methylphenyl)-4,5-dihydroimidazol-1-ium Traditional Name: 1,3-bis(2,6-ditert-butyl-4-methyl-phenyl)-2-imidazolin-1-ium Formula: C33H51N2+ MolecularWeight: 475.77144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(C)(C)C)N2CC[N+](=C2)C3=C(C=C(C=C3C(C)(C)C)C)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C(C)(C)C)N2CC[N+](=C2)C3=C(C=C(C=C3C(C)(C)C)C)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C33H51N2/c1-22-17-24(30(3,4)5)28(25(18-22)31(6,7)8)34-15-16-35(21-34)29-26(32(9,10)11)19-23(2)20-27(29)33(12,13)14/h17-21H,15-16H2,1-14H3/q+1