<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">348606</id>
  <title nil="true"/>
  <common-name>2-(4-ethylmorpholin-4-ium-4-yl)-1-[4-[4-[2-(4-ethylmorpholin-4-ium-4-yl)acetyl]phenyl]phenyl]ethanone</common-name>
  <description>2-(4-ethylmorpholin-4-ium-4-yl)-1-[4-[4-[2-(4-ethylmorpholin-4-ium-4-yl)acetyl]phenyl]phenyl]ethanone is a chemical compound with the formula C28H38N2O4+2. It has an average molecular weight of 466.60 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>3060487</pubchem-id>
  <chemical-formula>C28H38N2O4+2</chemical-formula>
  <weight>466.6</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">2026-08-31T12:41:09Z</created-at>
  <updated-at type="dateTime">2026-08-31T12:41:09Z</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>CC[N+]1(CCOCC1)CC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)C[N+]4(CCOCC4)CC</moldb-smiles>
  <moldb-formula>C28H38N2O4+2</moldb-formula>
  <moldb-inchi>InChI=1S/C28H38N2O4/c1-3-29(13-17-33-18-14-29)21-27(31)25-9-5-23(6-10-25)24-7-11-26(12-8-24)28(32)22-30(4-2)15-19-34-20-16-30/h5-12H,3-4,13-22H2,1-2H3/q+2</moldb-inchi>
  <moldb-inchikey>YLVLECZUVSCHFY-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">466.2831577</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.1</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>CHEM344499</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>2-(4-ethylmorpholin-4-ium-4-yl)-1-[4-[4-[2-(4-ethylmorpholin-4-ium-4-yl)acetyl]phenyl]phenyl]ethanone</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>Carbonyl compounds</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0298936</sync-id>
  <structure-inchikey>YLVLECZUVSCHFY-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>8000000000000000000000000000000000000000000000000000020000000000000000000000000000000020000000000000000000000010000000000000000000000000002000a0800000000000000000000000000000000000010000000000000000000000800000020000020000000000000000000000000040004000000000000000000000800000000000000000000000000000000000000000000000000000084000840000000000000000000000000000000000000000000000010800200000000000000000044000000000000200808000000400000000000000000040000000000c00000000000800000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������"���%���€���`�������`������ "�������`�������`������� ������`�������`�������`�������(�������(������@(������@h�������@h�������@(������@h�������@h�������@(������@h�������@h�������@(������@h�������@h��������(�������(�������`������ "�������`�������`������� ������`�������`�������`�������`�������������������������������	�	
(�	� ��h��h��h���h���h��� ��h���h���h���h���h��� ��(����������������������� � !������h���h����B�����������������������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:46:55Z</structure-indexed-at>
</compound>
