<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">345086</id>
  <title nil="true"/>
  <common-name>Spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azinan-1-ium]-3-yl 2-hydroxy-2,2-diphenylacetate</common-name>
  <description>Spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azinan-1-ium]-3-yl 2-hydroxy-2,2-diphenylacetate is a compound with the formula C26H32NO3+. It has an average molecular weight of 406.50 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>3057319</pubchem-id>
  <chemical-formula>C26H32NO3+</chemical-formula>
  <weight>406.5</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">2026-08-31T07:29:27Z</created-at>
  <updated-at type="dateTime">2026-08-31T07:29:27Z</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>C1CC[N+]2(CC1)C3CCC2CC(C3)OC(=O)C(C4=CC=CC=C4)(C5=CC=CC=C5)O</moldb-smiles>
  <moldb-formula>C26H32NO3+</moldb-formula>
  <moldb-inchi>InChI=1S/C26H32NO3/c28-25(26(29,20-10-4-1-5-11-20)21-12-6-2-7-13-21)30-24-18-22-14-15-23(19-24)27(22)16-8-3-9-17-27/h1-2,4-7,10-13,22-24,29H,3,8-9,14-19H2/q+1</moldb-inchi>
  <moldb-inchikey>LMFIKEWWBUTILH-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">406.2382189</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.7</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>CHEM340979</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>Spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azinan-1-ium]-3-yl 2-hydroxy-2,2-diphenylacetate</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>Benzenoids</superklass>
  <klass>Benzene and substituted derivatives</klass>
  <subklass>Diphenylmethanes</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0295446</sync-id>
  <structure-inchikey>LMFIKEWWBUTILH-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>200000000000000002000000000021000000000000000000000000040000000000000000000000000000000000000000040000000120000000000000000000000000000000000000000000000000400000200000000001000000000000000000000000000100000000000000000000000000000200000000000000400000001008000000000000008000000002000000000000000001000400000000000080000009024000040000000000000800000000c0000000000000000000000000000000000000000000010000000200000000010000000000000000000200000000600000000000000000000040000000080400000000000000000000000040000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAeAAAAIgAAAIABBgBgAAAAAgIGAGAAAAAC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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:44:14Z</structure-indexed-at>
</compound>
