<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">304482</id>
  <title nil="true"/>
  <common-name>4-[2-(9,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonan-3-yl)ethyl]-4-methylmorpholin-4-ium</common-name>
  <description>4-[2-(9,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonan-3-yl)ethyl]-4-methylmorpholin-4-ium belongs to the piperazines, a subclass of diazinanes within the organic compounds. This organoheterocyclic compound has the chemical formula C16H33N3O+2 and an average molecular weight of 283.45 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>59634</pubchem-id>
  <chemical-formula>C16H33N3O+2</chemical-formula>
  <weight>283.45</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">2026-08-28T21:59:01Z</created-at>
  <updated-at type="dateTime">2026-08-28T21:59:01Z</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>C[N+]1(C2CCCC1CN(C2)CC[N+]3(CCOCC3)C)C</moldb-smiles>
  <moldb-formula>C16H33N3O+2</moldb-formula>
  <moldb-inchi>InChI=1S/C16H33N3O/c1-18(2)15-5-4-6-16(18)14-17(13-15)7-8-19(3)9-11-20-12-10-19/h15-16H,4-14H2,1-3H3/q+2</moldb-inchi>
  <moldb-inchikey>SRZHVBHQYWRNCU-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">283.2623627</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>0.7</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>CHEM300375</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>4-[2-(9,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonan-3-yl)ethyl]-4-methylmorpholin-4-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>Organoheterocyclic compounds</superklass>
  <klass>Diazinanes</klass>
  <subklass>Piperazines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0255617</sync-id>
  <structure-inchikey>SRZHVBHQYWRNCU-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000000000000000000040000000000000000000000000000000000000000000000000000000000000012000000000000000000000001000000000000000000000000000000000800000000000000000001000030000000000000000000000000000000000000000021100020100000000000000100800004041000000000000000000004000000000000000000000000000000000000000000014000000000000000000040001000000200000080000000000000000000000000000010000000000000000000000000000000000004000008000010000000000000000000000000000001000000001000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`������ "�������`�������`�������`�������`�������`�������`������� ������`�������`�������`������ "�������`�������`������� ������`�������`�������`�������`�������������������������������	��
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  <structure-indexed-at type="dateTime">2026-09-19T05:13:30Z</structure-indexed-at>
</compound>
