Ethyl 2-[1-[(e)-3-methyl-4-(4-methylphenyl)but-2-enyl]piperidin-1-ium-1-yl]acetate (CHEM325046)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-30 09:16:16 UTC | ||||||||
| Update Date | 2026-08-30 09:16:16 UTC | ||||||||
| Accession Number | CHEM325046 | ||||||||
| Identification | |||||||||
| Common Name | Ethyl 2-[1-[(e)-3-methyl-4-(4-methylphenyl)but-2-enyl]piperidin-1-ium-1-yl]acetate | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C21H32NO2+ | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 330.243 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | Ethyl 2-[1-[(e)-3-methyl-4-(4-methylphenyl)but-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)C | ||||||||
| InChI Identifier | InChI=1S/C21H32NO2/c1-4-24-21(23)17-22(13-6-5-7-14-22)15-12-19(3)16-20-10-8-18(2)9-11-20/h8-12H,4-7,13-17H2,1-3H3/q+1/b19-12+ | ||||||||
| InChI Key | QSUQVOPAANWOCV-XDHOZWIPSA-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 | |||||||||
| Not Available | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
