1-decyl-3,5-dimethyl-1H-pyrazol-1-ium; 1,2-didecyl-3,5-dimethyl-pyrazol-1-ium; dibromide

Systemtic Name: 1-decyl-3,5-dimethyl-1H-pyrazol-1-ium; 1,2-didecyl-3,5-dimethyl-pyrazol-1-ium; dibromide Openeye Name: 1-decyl-3,5-dimethyl-1H-pyrazol-1-ium; 1,2-didecyl-3,5-dimethyl-pyrazol-1-ium; dibromide CAS Name: 1-decyl-3,5-dimethyl-1H-pyrazol-1-ium; 1,2-didecyl-3,5-dimethylpyrazol-1-ium; dibromide IUPAC Name: 1-decyl-3,5-dimethyl-1H-pyrazol-1-ium; 1,2-didecyl-3,5-dimethylpyrazol-1-ium; dibromide Traditional Name: 1-decyl-3,5-dimethyl-1H-pyrazol-1-ium; 1,2-didecyl-3,5-dimethyl-pyrazol-1-ium; dibromide Formula: C40H78Br2N4 MolecularWeight: 774.88212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC[NH+]1C(=CC(=N1)C)C.CCCCCCCCCCN1C(=CC(=[N+]1CCCCCCCCCC)C)C.[Br-].[Br-]

Isomeric SMILES

CCCCCCCCCC[NH+]1C(=CC(=N1)C)C.CCCCCCCCCCN1C(=CC(=[N+]1CCCCCCCCCC)C)C.[Br-].[Br-]

InChI

InChI=1S/C25H49N2.C15H28N2.2BrH/c1-5-7-9-11-13-15-17-19-21-26-24(3)23-25(4)27(26)22-20-18-16-14-12-10-8-6-2;1-4-5-6-7-8-9-10-11-12-17-15(3)13-14(2)16-17;;/h23H,5-22H2,1-4H3;13H,4-12H2,1-3H3;2*1H/q+1;;;/p-1