1,3-dihexadecyl-4-methyl-2-phenyl-4,5-dihydro-1H-imidazole-1,3-diium chloride

Systemtic Name: 1,3-dihexadecyl-4-methyl-2-phenyl-4,5-dihydro-1H-imidazole-1,3-diium chloride Openeye Name: 1,3-dihexadecyl-4-methyl-2-phenyl-4,5-dihydro-1H-imidazole-1,3-diium chloride CAS Name: 1,3-dihexadecyl-4-methyl-2-phenyl-4,5-dihydro-1H-imidazole-1,3-diium chloride IUPAC Name: 1,3-dihexadecyl-4-methyl-2-phenyl-4,5-dihydro-1H-imidazole-1,3-diium chloride Traditional Name: 1,3-dicetyl-4-methyl-2-phenyl-2-imidazoline-1,3-diium chloride Formula: C42H78ClN2+ MolecularWeight: 646.53512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[NH+]1CC([N+](=C1C2=CC=CC=C2)CCCCCCCCCCCCCCCC)C.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[NH+]1CC([N+](=C1C2=CC=CC=C2)CCCCCCCCCCCCCCCC)C.[Cl-]

InChI

InChI=1S/C42H77N2.ClH/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-33-37-43-39-40(3)44(42(43)41-35-31-30-32-36-41)38-34-29-27-25-23-21-19-17-15-13-11-9-7-5-2;/h30-32,35-36,40H,4-29,33-34,37-39H2,1-3H3;1H/q+1;