(2-cyano-2-hydroxycyclohexyl)methyl-[2-[4-[4-[2-[(2-cyano-2-hydroxycyclohexyl)methyl-dimethylazaniumyl]-2-oxoethyl]phenyl]phenyl]acetyl]-dimethylazanium dibromide
(2-cyano-2-hydroxycyclohexyl)methyl-[2-[4-[4-[2-[(2-cyano-2-hydroxycyclohexyl)methyl-dimethylazaniumyl]-2-oxoethyl]phenyl]phenyl]acetyl]-dimethylazanium dibromide
| Molecular Formula | C36H48Br2N4O4 |
|---|---|
| Molecular Weight | 760.6 g/mol |
| Topological Polar Surface Area | 122.0 A2 |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 760.2022 |
| Heavy Atoms | 46 |
| Complexity | 1030.0 |
Chemical Identifiers
| CAS Number | 25150-69-0 |
|---|---|
| SMILES | C[N+](C)(CC1CCCCC1(C#N)O)C(=O)CC2=CC=C(C=C2)C3=CC=C(C=C3)CC(=O)[N+](C)(C)CC4CCCCC4(C#N)O.[Br-].[Br-] |
| InChIKey | GFXTZCDKFYOGQK-UHFFFAOYSA-L |
📖 Product Overview
(2-cyano-2-hydroxycyclohexyl)methyl-[2-[4-[4-[2-[(2-cyano-2-hydroxycyclohexyl)methyl-dimethylazaniumyl]-2-oxoethyl]phenyl]phenyl]acetyl]-dimethylazanium dibromide (CAS: 25150-69-0) is a chemical compound with molecular formula C36H48Br2N4O4 and molecular weight 760.6 g/mol. Its IUPAC systematic name is (2-cyano-2-hydroxycyclohexyl)methyl-[2-[4-[4-[2-[(2-cyano-2-hydroxycyclohexyl)methyl-dimethylazaniumyl]-2-oxoethyl]phenyl]phenyl]acetyl]-dimethylazanium dibromide.
GFXTZCDKFYOGQK-UHFFFAOYSA-L.
SMILES: C[N+](C)(CC1CCCCC1(C#N)O)C(=O)CC2=CC=C(C=C2)C3=CC=C(C=C3)CC(=O)[N+](C)(C)CC4CCCCC4(C#N)O.[Br-].[Br-].
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