3-cyclopropyl-1,2-dimethyl-5-phenyl-pyrazol-1-ium; methyl sulfate

Systemtic Name: 3-cyclopropyl-1,2-dimethyl-5-phenyl-pyrazol-1-ium; methyl sulfate Openeye Name: 3-cyclopropyl-1,2-dimethyl-5-phenyl-pyrazol-1-ium; methyl sulfate CAS Name: 3-cyclopropyl-1,2-dimethyl-5-phenylpyrazol-1-ium; methyl sulfate IUPAC Name: 3-cyclopropyl-1,2-dimethyl-5-phenylpyrazol-1-ium; methyl sulfate Traditional Name: 3-cyclopropyl-1,2-dimethyl-5-phenyl-pyrazol-1-ium; methyl sulfate Formula: C15H20N2O4S MolecularWeight: 324.3953

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=[N+]1C)C2=CC=CC=C2)C3CC3.COS(=O)(=O)[O-]

Isomeric SMILES

CN1C(=CC(=[N+]1C)C2=CC=CC=C2)C3CC3.COS(=O)(=O)[O-]

InChI

InChI=1S/C14H17N2.CH4O4S/c1-15-13(11-6-4-3-5-7-11)10-14(16(15)2)12-8-9-12;1-5-6(2,3)4/h3-7,10,12H,8-9H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1