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

Systemtic Name: methyl sulfate; 1-methyl-2-tetradecyl-pyrazol-1-ium Openeye Name: methyl sulfate; 1-methyl-2-tetradecyl-pyrazol-1-ium CAS Name: methyl sulfate; 1-methyl-2-tetradecylpyrazol-1-ium IUPAC Name: methyl sulfate; 1-methyl-2-tetradecylpyrazol-1-ium Traditional Name: 1-methyl-2-myristyl-pyrazol-1-ium; methyl sulfate Formula: C19H38N2O4S MolecularWeight: 390.58102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H35N2.CH4O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-20-18-15-16-19(20)2;1-5-6(2,3)4/h15-16,18H,3-14,17H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1