4-methyl-2-undecyl-1H-imidazol-1-ium sulfate

Systemtic Name: 4-methyl-2-undecyl-1H-imidazol-1-ium sulfate Openeye Name: 4-methyl-2-undecyl-1H-imidazol-1-ium sulfate CAS Name: 4-methyl-2-undecyl-1H-imidazol-1-ium sulfate IUPAC Name: 4-methyl-2-undecyl-1H-imidazol-1-ium sulfate Traditional Name: 4-methyl-2-undecyl-1H-imidazol-1-ium sulfate Formula: C30H58N4O4S MolecularWeight: 570.87092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=NC(=C[NH2+]1)C.CCCCCCCCCCCC1=NC(=C[NH2+]1)C.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCC1=NC(=C[NH2+]1)C.CCCCCCCCCCCC1=NC(=C[NH2+]1)C.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C15H28N2.H2O4S/c2*1-3-4-5-6-7-8-9-10-11-12-15-16-13-14(2)17-15;1-5(2,3)4/h2*13H,3-12H2,1-2H3,(H,16,17);(H2,1,2,3,4)