benzyl-[4-[3,5-bis(methoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridin-4-yl]phenyl]-dimethylazanium iodide
benzyl-[4-[3,5-bis(methoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridin-4-yl]phenyl]-dimethylazanium iodide
| Molecular Formula | C26H31IN2O4 |
|---|---|
| Molecular Weight | 562.4 g/mol |
| Topological Polar Surface Area | 64.6 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 562.1329 |
| Heavy Atoms | 33 |
| Complexity | 731.0 |
Chemical Identifiers
| CAS Number | 66941-30-8 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=C(C=C2)[N+](C)(C)CC3=CC=CC=C3)C(=O)OC.[I-] |
| InChIKey | WKTZIMKKCFKCRM-UHFFFAOYSA-N |
📖 Product Overview
benzyl-[4-[3,5-bis(methoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridin-4-yl]phenyl]-dimethylazanium iodide (CAS: 66941-30-8) is a chemical compound with molecular formula C26H31IN2O4 and molecular weight 562.4 g/mol. Its IUPAC systematic name is benzyl-[4-[3,5-bis(methoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridin-4-yl]phenyl]-dimethylazanium iodide.
WKTZIMKKCFKCRM-UHFFFAOYSA-N.
SMILES: CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=C(C=C2)[N+](C)(C)CC3=CC=CC=C3)C(=O)OC.[I-].
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