1,2-dimethyl-5-{2-[4-(propan-2-yl)benzene-1-sulfonyl]ethyl}pyridin-1-ium--iodide (1/1)
Chemical Structure Depiction of
1,2-dimethyl-5-{2-[4-(propan-2-yl)benzene-1-sulfonyl]ethyl}pyridin-1-ium--iodide (1/1)
1,2-dimethyl-5-{2-[4-(propan-2-yl)benzene-1-sulfonyl]ethyl}pyridin-1-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 3037-0168 |
| Compound Name: | 1,2-dimethyl-5-{2-[4-(propan-2-yl)benzene-1-sulfonyl]ethyl}pyridin-1-ium--iodide (1/1) |
| Molecular Weight: | 445.36 |
| Molecular Formula: | C18 H24 N O2 S |
| Salt: | I- |
| Smiles: | CC(C)c1ccc(cc1)S(CCc1ccc(C)[n+](C)c1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6013 |
| logD: | 3.6013 |
| logSw: | -3.5389 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 31.2653 |
| InChI Key: | KMVSKDJGJANZMG-UHFFFAOYSA-N |