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 (CHEM351345)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-31 23:58:51 UTC | ||||||||
| Update Date | 2026-08-31 23:58:51 UTC | ||||||||
| Accession Number | CHEM351345 | ||||||||
| Identification | |||||||||
| 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 | ||||||||
| Class | Small Molecule | ||||||||
| 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. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C40H58N2O4+2 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 630.440 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC 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 | ||||||||
| Traditional Name | Not Available | ||||||||
| 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 | ||||||||
| InChI Identifier | 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+ | ||||||||
| InChI Key | GCYWFBDJCWVRLL-WXGDAXOSSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
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| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
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| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
