4-[(r)-[(2s,4s,5r)-1-benzyl-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-prop-2-enoxymethyl]quinoline (CHEM345522)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-31 14:16:25 UTC | ||||||||
| Update Date | 2026-08-31 14:16:25 UTC | ||||||||
| Accession Number | CHEM345522 | ||||||||
| Identification | |||||||||
| Common Name | 4-[(r)-[(2s,4s,5r)-1-benzyl-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-prop-2-enoxymethyl]quinoline | ||||||||
| Class | Small Molecule | ||||||||
| Description | 4-[(r)-[(2s,4s,5r)-1-benzyl-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-prop-2-enoxymethyl]quinoline is a chemical compound with the formula C29H33N2O+. It has an average molecular weight of 425.60 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C29H33N2O+ | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 425.259 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 4-[(r)-[(2s,4s,5r)-1-benzyl-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-prop-2-enoxymethyl]quinoline | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | C=CCOC(C1CC2CC[N+]1(CC2C=C)CC3=CC=CC=C3)C4=CC=NC5=CC=CC=C45 | ||||||||
| InChI Identifier | InChI=1S/C29H33N2O/c1-3-18-32-29(26-14-16-30-27-13-9-8-12-25(26)27)28-19-24-15-17-31(28,21-23(24)4-2)20-22-10-6-5-7-11-22/h3-14,16,23-24,28-29H,1-2,15,17-21H2/q+1/t23-,24-,28-,29+,31?/m0/s1 | ||||||||
| InChI Key | YHNOHNGXUABVNJ-DGBCZVPESA-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 | |||||||||
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| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
