3,3-didecyl-2-(4,5-dihydro-1H-imidazol-1-ium-1-yl)-1-phenyl-tridecan-2-ol

Systemtic Name: 3,3-didecyl-2-(4,5-dihydro-1H-imidazol-1-ium-1-yl)-1-phenyl-tridecan-2-ol Openeye Name: 3,3-didecyl-2-(4,5-dihydro-1H-imidazol-1-ium-1-yl)-1-phenyl-tridecan-2-ol CAS Name: 3,3-didecyl-2-(4,5-dihydro-1H-imidazol-1-ium-1-yl)-1-phenyl-2-tridecanol IUPAC Name: 3,3-didecyl-2-(4,5-dihydro-1H-imidazol-1-ium-1-yl)-1-phenyltridecan-2-ol Traditional Name: 3,3-didecyl-2-(2-imidazolin-1-ium-1-yl)-1-phenyl-tridecan-2-ol Formula: C42H77N2O+ MolecularWeight: 626.07358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CCCCCCCCCC)(CCCCCCCCCC)C(CC1=CC=CC=C1)([NH+]2CCN=C2)O

Isomeric SMILES

CCCCCCCCCCC(CCCCCCCCCC)(CCCCCCCCCC)C(CC1=CC=CC=C1)([NH+]2CCN=C2)O

InChI

InChI=1S/C42H76N2O/c1-4-7-10-13-16-19-22-28-33-41(34-29-23-20-17-14-11-8-5-2,35-30-24-21-18-15-12-9-6-3)42(45,44-37-36-43-39-44)38-40-31-26-25-27-32-40/h25-27,31-32,39,45H,4-24,28-30,33-38H2,1-3H3/p+1