1,3-bis[2,6-bis(2,5-dimethylhexan-2-yl)phenyl]-4,5-dihydroimidazol-1-ium

Systemtic Name: 1,3-bis[2,6-bis(2,5-dimethylhexan-2-yl)phenyl]-4,5-dihydroimidazol-1-ium Openeye Name: 1,3-bis[2,6-bis(1,1,4-trimethylpentyl)phenyl]-4,5-dihydroimidazol-1-ium CAS Name: 1,3-bis[2,6-bis(2,5-dimethylhexan-2-yl)phenyl]-4,5-dihydroimidazol-1-ium IUPAC Name: 1,3-bis[2,6-bis(2,5-dimethylhexan-2-yl)phenyl]-4,5-dihydroimidazol-1-ium Traditional Name: 1,3-bis[2,6-bis(1,1,4-trimethylpentyl)phenyl]-2-imidazolin-1-ium Formula: C47H79N2+ MolecularWeight: 672.14356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C47H79N2/c1-34(2)23-27-44(9,10)38-19-17-20-39(45(11,12)28-24-35(3)4)42(38)48-31-32-49(33-48)43-40(46(13,14)29-25-36(5)6)21-18-22-41(43)47(15,16)30-26-37(7)8/h17-22,33-37H,23-32H2,1-16H3/q+1