<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">337654</id>
  <title nil="true"/>
  <common-name>1-methyl-1-[[2-[2-[2-methyl-4-[(1-methylpiperidin-1-ium-1-yl)methyl]-1,3-dioxolan-2-yl]ethyl]-1,3-dioxolan-4-yl]methyl]piperidin-1-ium</common-name>
  <description>1-methyl-1-[[2-[2-[2-methyl-4-[(1-methylpiperidin-1-ium-1-yl)methyl]-1,3-dioxolan-2-yl]ethyl]-1,3-dioxolan-4-yl]methyl]piperidin-1-ium is a compound with the formula C23H44N2O4+2. It has an average molecular weight of 412.60 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>218662</pubchem-id>
  <chemical-formula>C23H44N2O4+2</chemical-formula>
  <weight>412.6</weight>
  <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">2026-08-30T20:34:09Z</created-at>
  <updated-at type="dateTime">2026-08-30T20:34:09Z</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>CC1(OCC(O1)C[N+]2(CCCCC2)C)CCC3OCC(O3)C[N+]4(CCCCC4)C</moldb-smiles>
  <moldb-formula>C23H44N2O4+2</moldb-formula>
  <moldb-inchi>InChI=1S/C23H44N2O4/c1-23(27-19-21(29-23)17-25(3)14-8-5-9-15-25)11-10-22-26-18-20(28-22)16-24(2)12-6-4-7-13-24/h20-22H,4-19H2,1-3H3/q+2</moldb-inchi>
  <moldb-inchikey>NDPOCSDHMWXBJF-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">412.3301079</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.3</logp>
  <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>CHEM333547</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>1-methyl-1-[[2-[2-[2-methyl-4-[(1-methylpiperidin-1-ium-1-yl)methyl]-1,3-dioxolan-2-yl]ethyl]-1,3-dioxolan-4-yl]methyl]piperidin-1-ium</iupac>
  <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"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organic oxygen compounds</superklass>
  <klass>Organooxygen compounds</klass>
  <subklass>Ethers</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0288088</sync-id>
  <structure-inchikey>NDPOCSDHMWXBJF-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>20000000000000000080800000080000000000000000000000000000000000000040000000000000000000000000010000000000002000000000000000000000000000000000000000000000000000000000a80000000008000000000000000000000010200000008020000000000000000000024000000020000000000000500800004048020000000000000000000000000000200000000000000000000020000000000000000000002000000100000100000000000000001000000000100000000000000000010000000200000000000000000000010000004000000000000000000000000000000000000000800050000200000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ�������������������� ���€���`������� ������ ������`�������`������� ������`������ "�������`�������`�������`�������`�������`�������`�������`�������`�������`������� ������`�������`������� ������`������ "�������`�������`�������`�������`�������`�������`�������������������������������	�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:38:41Z</structure-indexed-at>
</compound>
