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

Systemtic Name: 1,3-dimethyl-2-tetradecyl-pyrazol-1-ium; methyl sulfate Openeye Name: 1,3-dimethyl-2-tetradecyl-pyrazol-1-ium; methyl sulfate CAS Name: 1,3-dimethyl-2-tetradecylpyrazol-1-ium; methyl sulfate IUPAC Name: 1,3-dimethyl-2-tetradecylpyrazol-1-ium; methyl sulfate Traditional Name: 1,3-dimethyl-2-myristyl-pyrazol-1-ium; methyl sulfate Formula: C20H40N2O4S MolecularWeight: 404.6076

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCN1C(=CC=[N+]1C)C.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCN1C(=CC=[N+]1C)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C19H37N2.CH4O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-17-21-19(2)16-18-20(21)3;1-5-6(2,3)4/h16,18H,4-15,17H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1