3,5-dicyclohexyl-1,2,4-trimethyl-pyrazol-1-ium; methyl sulfate

Systemtic Name: 3,5-dicyclohexyl-1,2,4-trimethyl-pyrazol-1-ium; methyl sulfate Openeye Name: 3,5-dicyclohexyl-1,2,4-trimethyl-pyrazol-1-ium; methyl sulfate CAS Name: 3,5-dicyclohexyl-1,2,4-trimethylpyrazol-1-ium; methyl sulfate IUPAC Name: 3,5-dicyclohexyl-1,2,4-trimethylpyrazol-1-ium; methyl sulfate Traditional Name: 3,5-dicyclohexyl-1,2,4-trimethyl-pyrazol-1-ium; methyl sulfate Formula: C19H34N2O4S MolecularWeight: 386.54926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N([N+](=C1C2CCCCC2)C)C)C3CCCCC3.COS(=O)(=O)[O-]

Isomeric SMILES

CC1=C(N([N+](=C1C2CCCCC2)C)C)C3CCCCC3.COS(=O)(=O)[O-]

InChI

InChI=1S/C18H31N2.CH4O4S/c1-14-17(15-10-6-4-7-11-15)19(2)20(3)18(14)16-12-8-5-9-13-16;1-5-6(2,3)4/h15-16H,4-13H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1