2-dodecyl-1,3-dimethyl-pyrazol-1-ium; methyl sulfate

Systemtic Name: 2-dodecyl-1,3-dimethyl-pyrazol-1-ium; methyl sulfate Openeye Name: 2-dodecyl-1,3-dimethyl-pyrazol-1-ium; methyl sulfate CAS Name: 2-dodecyl-1,3-dimethylpyrazol-1-ium; methyl sulfate IUPAC Name: 2-dodecyl-1,3-dimethylpyrazol-1-ium; methyl sulfate Traditional Name: 2-lauryl-1,3-dimethyl-pyrazol-1-ium; methyl sulfate Formula: C18H36N2O4S MolecularWeight: 376.55444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C(=CC=[N+]1C)C.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCN1C(=CC=[N+]1C)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C17H33N2.CH4O4S/c1-4-5-6-7-8-9-10-11-12-13-15-19-17(2)14-16-18(19)3;1-5-6(2,3)4/h14,16H,4-13,15H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1