4-dodecoxy-1,2-dimethyl-3,5-diphenyl-pyrazol-2-ium; methyl sulfate

Systemtic Name: 4-dodecoxy-1,2-dimethyl-3,5-diphenyl-pyrazol-2-ium; methyl sulfate Openeye Name: 4-dodecoxy-1,2-dimethyl-3,5-diphenyl-pyrazol-2-ium; methyl sulfate CAS Name: 4-dodecoxy-1,2-dimethyl-3,5-diphenylpyrazol-2-ium; methyl sulfate IUPAC Name: 4-dodecoxy-1,2-dimethyl-3,5-diphenylpyrazol-2-ium; methyl sulfate Traditional Name: 4-lauryloxy-1,2-dimethyl-3,5-diphenyl-pyrazol-2-ium; methyl sulfate Formula: C30H44N2O5S MolecularWeight: 544.74576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(N([N+](=C1C2=CC=CC=C2)C)C)C3=CC=CC=C3.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCOC1=C(N([N+](=C1C2=CC=CC=C2)C)C)C3=CC=CC=C3.COS(=O)(=O)[O-]

InChI

InChI=1S/C29H41N2O.CH4O4S/c1-4-5-6-7-8-9-10-11-12-19-24-32-29-27(25-20-15-13-16-21-25)30(2)31(3)28(29)26-22-17-14-18-23-26;1-5-6(2,3)4/h13-18,20-23H,4-12,19,24H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1