1-dodecyl-2-methyl-pyrazol-2-ium; methyl sulfate

Systemtic Name: 1-dodecyl-2-methyl-pyrazol-2-ium; methyl sulfate Openeye Name: 1-dodecyl-2-methyl-pyrazol-2-ium; methyl sulfate CAS Name: 1-dodecyl-2-methylpyrazol-2-ium; methyl sulfate IUPAC Name: 1-dodecyl-2-methylpyrazol-2-ium; methyl sulfate Traditional Name: 1-lauryl-2-methyl-pyrazol-2-ium; methyl sulfate Formula: C17H34N2O4S MolecularWeight: 362.52786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H31N2.CH4O4S/c1-3-4-5-6-7-8-9-10-11-12-15-18-16-13-14-17(18)2;1-5-6(2,3)4/h13-14,16H,3-12,15H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1