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

Systemtic Name: 1,2-dimethyl-4-pentoxy-3,5-diphenyl-pyrazol-2-ium; methyl sulfate Openeye Name: 1,2-dimethyl-4-pentoxy-3,5-diphenyl-pyrazol-2-ium; methyl sulfate CAS Name: 1,2-dimethyl-4-pentoxy-3,5-diphenylpyrazol-2-ium; methyl sulfate IUPAC Name: 1,2-dimethyl-4-pentoxy-3,5-diphenylpyrazol-2-ium; methyl sulfate Traditional Name: 4-amoxy-1,2-dimethyl-3,5-diphenyl-pyrazol-2-ium; methyl sulfate Formula: C23H30N2O5S MolecularWeight: 446.5597

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(N([N+](=C1C2=CC=CC=C2)C)C)C3=CC=CC=C3.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCOC1=C(N([N+](=C1C2=CC=CC=C2)C)C)C3=CC=CC=C3.COS(=O)(=O)[O-]

InChI

InChI=1S/C22H27N2O.CH4O4S/c1-4-5-12-17-25-22-20(18-13-8-6-9-14-18)23(2)24(3)21(22)19-15-10-7-11-16-19;1-5-6(2,3)4/h6-11,13-16H,4-5,12,17H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1