99986 <common-name>4,5-Dihydro-1-methyl-1-[3-[(1-oxotetradecyl)amino]propyl]-2-tridecyl-1H-imidazolium methyl sulphate</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>44151833</pubchem-id> <chemical-formula>C34H68N3O</chemical-formula> <weight nil="true"/> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-04-05T07:18:20Z</created-at> <updated-at type="dateTime">2026-04-05T07:18:20Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>COS(O)(=O)=O.CCCCCCCCCCCCCC([O-])=NCCC[N+]1(C)CCN=C1CCCCCCCCCCCCC</moldb-smiles> <moldb-formula>C34H68N3O</moldb-formula> <moldb-inchi>InChI=1/C34H67N3O.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-27-33-35-30-32-37(33,3)31-26-29-36-34(38)28-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h4-32H2,1-3H3;1H3,(H,2,3,4)</moldb-inchi> <moldb-inchikey>MBFBWPDVJGSJNH-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">646.03</moldb-average-mass> <moldb-mono-mass type="decimal">534.5362388</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM095879</chemdb-id> <dsstox-id>DTXSID90916808</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00062938</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> </compound>