1-(11-decylsulfanylundecyl)-2-ethyl-pyrazol-1-ium

Systemtic Name: 1-(11-decylsulfanylundecyl)-2-ethyl-pyrazol-1-ium Openeye Name: 1-(11-decylsulfanylundecyl)-2-ethyl-pyrazol-1-ium CAS Name: 1-[11-(decylthio)undecyl]-2-ethylpyrazol-1-ium IUPAC Name: 1-(11-decylsulfanylundecyl)-2-ethylpyrazol-1-ium Traditional Name: 1-[11-(decylthio)undecyl]-2-ethyl-pyrazol-1-ium Formula: C26H51N2S+ MolecularWeight: 423.76154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCSCCCCCCCCCCC[N+]1=CC=CN1CC

Isomeric SMILES

CCCCCCCCCCSCCCCCCCCCCC[N+]1=CC=CN1CC

InChI

InChI=1S/C26H51N2S/c1-3-5-6-7-8-13-16-19-25-29-26-20-17-14-11-9-10-12-15-18-22-28-24-21-23-27(28)4-2/h21,23-24H,3-20,22,25-26H2,1-2H3/q+1