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

Systemtic Name: 4-butoxy-1,2-dimethyl-1,5-diphenyl-3H-pyrazol-1-ium; methyl sulfate Openeye Name: 4-butoxy-1,2-dimethyl-1,5-diphenyl-3H-pyrazol-1-ium; methyl sulfate CAS Name: 4-butoxy-1,2-dimethyl-1,5-diphenyl-3H-pyrazol-1-ium; methyl sulfate IUPAC Name: 4-butoxy-1,2-dimethyl-1,5-diphenyl-3H-pyrazol-1-ium; methyl sulfate Traditional Name: 4-butoxy-1,2-dimethyl-1,5-diphenyl-3-pyrazolin-1-ium; methyl sulfate Formula: C22H30N2O5S MolecularWeight: 434.549

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C([N+](N(C1)C)(C)C2=CC=CC=C2)C3=CC=CC=C3.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCOC1=C([N+](N(C1)C)(C)C2=CC=CC=C2)C3=CC=CC=C3.COS(=O)(=O)[O-]

InChI

InChI=1S/C21H27N2O.CH4O4S/c1-4-5-16-24-20-17-22(2)23(3,19-14-10-7-11-15-19)21(20)18-12-8-6-9-13-18;1-5-6(2,3)4/h6-15H,4-5,16-17H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1