(4-piperidin-1-ium-1-ylcyclohexyl) 3,4,5-trimethoxybenzoate chloride
(4-piperidin-1-ium-1-ylcyclohexyl) 3,4,5-trimethoxybenzoate chloride
| Molecular Formula | C21H32ClNO5 |
|---|---|
| Molecular Weight | 413.9 g/mol |
| Topological Polar Surface Area | 58.4 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 413.1969 |
| Heavy Atoms | 28 |
| Complexity | 445.0 |
Chemical Identifiers
| CAS Number | 1532-13-4 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)OC2CCC(CC2)[NH+]3CCCCC3.[Cl-] |
| InChIKey | LQGUJXQJPIVGRM-UHFFFAOYSA-N |
📖 Product Overview
(4-piperidin-1-ium-1-ylcyclohexyl) 3,4,5-trimethoxybenzoate chloride (CAS: 1532-13-4) is a chemical compound with molecular formula C21H32ClNO5 and molecular weight 413.9 g/mol. Its IUPAC systematic name is (4-piperidin-1-ium-1-ylcyclohexyl) 3,4,5-trimethoxybenzoate chloride.
LQGUJXQJPIVGRM-UHFFFAOYSA-N.
SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)OC2CCC(CC2)[NH+]3CCCCC3.[Cl-].
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