1-methyl-3-octyl-imidazol-1-ium; octyl sulfate

Systemtic Name: 1-methyl-3-octyl-imidazol-1-ium; octyl sulfate Openeye Name: 1-methyl-3-octyl-imidazol-1-ium; octyl sulfate CAS Name: 1-methyl-3-octylimidazol-1-ium; octyl sulfate IUPAC Name: 1-methyl-3-octylimidazol-1-ium; octyl sulfate Traditional Name: 1-methyl-3-octyl-imidazol-1-ium; octyl sulfate Formula: C20H40N2O4S MolecularWeight: 404.6076

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C=C[N+](=C1)C.CCCCCCCCOS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCN1C=C[N+](=C1)C.CCCCCCCCOS(=O)(=O)[O-]

InChI

InChI=1S/C12H23N2.C8H18O4S/c1-3-4-5-6-7-8-9-14-11-10-13(2)12-14;1-2-3-4-5-6-7-8-12-13(9,10)11/h10-12H,3-9H2,1-2H3;2-8H2,1H3,(H,9,10,11)/q+1;/p-1