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methyl sulfate; 1,3,5-trimethyl-2-octadecyl-pyrazol-1-ium

methyl sulfate; 1,3,5-trimethyl-2-octadecyl-pyrazol-1-ium

Systemtic Name:methyl sulfate; 1,3,5-trimethyl-2-octadecyl-pyrazol-1-ium
Openeye Name:methyl sulfate; 1,3,5-trimethyl-2-octadecyl-pyrazol-1-ium
CAS Name:methyl sulfate; 1,3,5-trimethyl-2-octadecylpyrazol-1-ium
IUPAC Name:methyl sulfate; 1,3,5-trimethyl-2-octadecylpyrazol-1-ium
Traditional Name:methyl sulfate; 1,3,5-trimethyl-2-stearyl-pyrazol-1-ium
Formula: C25H50N2O4S
MolecularWeight: 474.7405
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN1C(=CC(=[N+]1C)C)C.COS(=O)(=O)[O-]


Isomeric SMILES

CCCCCCCCCCCCCCCCCCN1C(=CC(=[N+]1C)C)C.COS(=O)(=O)[O-]


InChI

InChI=1S/C24H47N2.CH4O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-24(3)22-23(2)25(26)4;1-5-6(2,3)4/h22H,5-21H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1


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