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

Systemtic Name: 4-heptoxy-1,2-dimethyl-3,5-diphenyl-pyrazol-2-ium; methyl sulfate Openeye Name: 4-heptoxy-1,2-dimethyl-3,5-diphenyl-pyrazol-2-ium; methyl sulfate CAS Name: 4-heptoxy-1,2-dimethyl-3,5-diphenylpyrazol-2-ium; methyl sulfate IUPAC Name: 4-heptoxy-1,2-dimethyl-3,5-diphenylpyrazol-2-ium; methyl sulfate Traditional Name: 4-heptoxy-1,2-dimethyl-3,5-diphenyl-pyrazol-2-ium; methyl sulfate Formula: C25H34N2O5S MolecularWeight: 474.61286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(N([N+](=C1C2=CC=CC=C2)C)C)C3=CC=CC=C3.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCOC1=C(N([N+](=C1C2=CC=CC=C2)C)C)C3=CC=CC=C3.COS(=O)(=O)[O-]

InChI

InChI=1S/C24H31N2O.CH4O4S/c1-4-5-6-7-14-19-27-24-22(20-15-10-8-11-16-20)25(2)26(3)23(24)21-17-12-9-13-18-21;1-5-6(2,3)4/h8-13,15-18H,4-7,14,19H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1