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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+]1=CC=C(N1C)C.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCC[N+]1=CC=C(N1C)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C17H33N2.CH4O4S/c1-4-5-6-7-8-9-10-11-12-13-15-19-16-14-17(2)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