333295 <common-name>5-(4-chloro-5-methyl-2-propan-2-ylphenoxy)pentyl-dimethyl-[(5-nitrofuran-2-yl)methyl]azanium</common-name> <description>5-(4-chloro-5-methyl-2-propan-2-ylphenoxy)pentyl-dimethyl-[(5-nitrofuran-2-yl)methyl]azanium is a compound with the formula C22H32ClN2O4+. It has an average molecular weight of 424.00 g/mol.</description> <cas nil="true"/> <pubchem-id>43430</pubchem-id> <chemical-formula>C22H32ClN2O4+</chemical-formula> <weight>424</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">2026-08-30T14:38:00Z</created-at> <updated-at type="dateTime">2026-08-30T14:38:00Z</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=CC(=C(C=C1Cl)C(C)C)OCCCCC[N+](C)(C)CC2=CC=C(O2)[N+](=O)[O-]</moldb-smiles> <moldb-formula>C22H32ClN2O4+</moldb-formula> <moldb-inchi>InChI=1S/C22H32ClN2O4/c1-16(2)19-14-20(23)17(3)13-21(19)28-12-8-6-7-11-25(4,5)15-18-9-10-22(29-18)24(26)27/h9-10,13-14,16H,6-8,11-12,15H2,1-5H3/q+1</moldb-inchi> <moldb-inchikey>RXYKWSCMJSIPQH-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">423.2050602</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.9</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>CHEM329188</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>5-(4-chloro-5-methyl-2-propan-2-ylphenoxy)pentyl-dimethyl-[(5-nitrofuran-2-yl)methyl]azanium</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>Lipids and lipid-like molecules</superklass> <klass>Prenol lipids</klass> <subklass>Monoterpenoids</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0283779</sync-id> <structure-inchikey>RXYKWSCMJSIPQH-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40040000020000000000800000000040000000000000000000000000000400a100000090000000000000000000020000000000020200000000000000000000001000100000004400000002000000080000209000000001000010000000004000000000000000000102000000001000000000400000000000000000000000000000100000c0000000000000000000010000000000001000008000000040000000000000008000000000000000080100000000000000080000010000000002000000000000000000000800000000000000000010000000002000040200000000000000000000000000000040000000010010020000001820000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAdAAAAHgAAAIABBgBgAAAAAQMGQCgAAAAD BAZAaAAAAAMDAQZAKAAAAAMEBkAoAAAAAwQGQGgAAAADAwEGQCgAAAADBBEA IAAAAAEGAGAAAAADAQYAYAAAAAEDBgBgAAAAAQMIACgAAAADAgYAYAAAAAIC BgBgAAAAAgIGAGAAAAACAgYAYAAAAAICBgBgAAAAAgIHICIAAAABBAYAYAAA AAEDBgBgAAAAAQMGAGAAAAACAgZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMB BkAoAAAAAwQIQCgAAAADAgcgKgAAAAEDBAgAKAAAAAMCCCAqAAAA/wMBCwAB AAECaAwCA2gMAwRoDAQFaAwFBmgMBgcABAgACAkACAoAAwsgCwwADA0ADQ4A Dg8ADxAAEBEAERIAERMAERQAFBUAFRZoDBYXaAwXGGgMGBloDBgaIBobKAIa HCAGAWgMGRVoDEICAAAABgEGBQQDAgUWFRkYFxcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:35:26Z</structure-indexed-at> </compound>