N-[2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)ethyl]-N,N-dimethylprop-2-yn-1-aminium--bromide (1/1)
Chemical Structure Depiction of
N-[2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)ethyl]-N,N-dimethylprop-2-yn-1-aminium--bromide (1/1)
N-[2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)ethyl]-N,N-dimethylprop-2-yn-1-aminium--bromide (1/1)
Compound characteristics
| Compound ID: | 5671-0204 |
| Compound Name: | N-[2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)ethyl]-N,N-dimethylprop-2-yn-1-aminium--bromide (1/1) |
| Molecular Weight: | 353.26 |
| Molecular Formula: | C16 H21 N2 O2 |
| Salt: | Br- |
| Smiles: | C[N+](C)(CCN1C(C2C3CC(C=C3)C2C1=O)=O)CC#C |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.7982 |
| logD: | 0.7982 |
| logSw: | -0.5609 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 30.8994 |
| InChI Key: | IWQLBSMNKBJWPA-UHFFFAOYSA-N |