355452 <common-name>Ethyl 2-[1-[(e)-4-[4-[4-[(e)-4-[1-(2-ethoxy-2-oxoethyl)piperidin-1-ium-1-yl]-2-methylbut-2-enyl]phenyl]phenyl]-3-methylbut-2-enyl]piperidin-1-ium-1-yl]acetate</common-name> <description>Ethyl 2-[1-[(e)-4-[4-[4-[(e)-4-[1-(2-ethoxy-2-oxoethyl)piperidin-1-ium-1-yl]-2-methylbut-2-enyl]phenyl]phenyl]-3-methylbut-2-enyl]piperidin-1-ium-1-yl]acetate has the chemical formula C40H58N2O4+2. With an average molecular weight of 630.90 g/mol, Ethyl 2-[1-[(e)-4-[4-[4-[(e)-4-[1-(2-ethoxy-2-oxoethyl)piperidin-1-ium-1-yl]-2-methylbut-2-enyl]phenyl]phenyl]-3-methylbut-2-enyl]piperidin-1-ium-1-yl]acetate is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>6446226</pubchem-id> <chemical-formula>C40H58N2O4+2</chemical-formula> <weight>630.9</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">2026-08-31T23:58:51Z</created-at> <updated-at type="dateTime">2026-08-31T23:58:51Z</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>CCOC(=O)C[N+]1(CCCCC1)CC=C(C)CC2=CC=C(C=C2)C3=CC=C(C=C3)CC(=CC[N+]4(CCCCC4)CC(=O)OCC)C</moldb-smiles> <moldb-formula>C40H58N2O4+2</moldb-formula> <moldb-inchi>InChI=1S/C40H58N2O4/c1-5-45-39(43)31-41(23-9-7-10-24-41)27-21-33(3)29-35-13-17-37(18-14-35)38-19-15-36(16-20-38)30-34(4)22-28-42(25-11-8-12-26-42)32-40(44)46-6-2/h13-22H,5-12,23-32H2,1-4H3/q+2/b33-21+,34-22+</moldb-inchi> <moldb-inchikey>GCYWFBDJCWVRLL-WXGDAXOSSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">630.4396583</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>8.6</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>CHEM351345</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>Ethyl 2-[1-[(e)-4-[4-[4-[(e)-4-[1-(2-ethoxy-2-oxoethyl)piperidin-1-ium-1-yl]-2-methylbut-2-enyl]phenyl]phenyl]-3-methylbut-2-enyl]piperidin-1-ium-1-yl]acetate</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>Lignans, neolignans and related compounds</superklass> <klass nil="true"/> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0305704</sync-id> <structure-inchikey>GCYWFBDJCWVRLL-UHFFFAOYSA-N</structure-inchikey> 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"�������`�������`�������`�������`�������`�������`�������(�������(�������(�������`�������`�������`�������������� ��(�������������� � � ������ � ��������������h���h���h���h���h��� ��h���h���h���h���h������������ � !�!"�"#�#$�$%�%&�!'�'(�()(�(* *+�+,��-������h���h�&!�B������� �����������������"#$%&!����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:53:21Z</structure-indexed-at> </compound>