RefChem:1096331
decyl 2-[1-[(Z)-3-chloro-4-(4-methoxyphenyl)but-2-enyl]piperidin-1-ium-1-yl]acetate chloride
Also Known As: 1-(Decyloxycarbonylmethyl)-1-(3-chloro-4-(p-methoxyphenyl)-2-butenyl)piperidinium chloride|Piperidinium, 1-(carboxymethyl)-1-(3-chloro-4-(p-methoxyphenyl)-2-butenyl)-, chloride, decyl ester|decyl 2-[1-[(Z)-3-chloro-4-(4-methoxyphenyl)but-2-enyl]piperidin-1-ium-1-yl]acetate chloride|Piperidinium, 1-[3-chloro-4-(4-methoxyphenyl)-2-butenyl]-1-[2-(decyloxy)-2-oxoethyl]-, chloride
| Molecular Formula | C28H45Cl2NO3 |
|---|---|
| Molecular Weight | 513.27765 g/mol |
| LogP | 4.049 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 16 |
| Exact Mass | 513.27765 |
| Monoisotopic Mass | 513.27765 |
| Heavy Atoms | 34 |
| Complexity | 700.1077 |
Chemical Identifiers
| CAS Number | 56080-89-8 |
|---|---|
| SMILES | CCCCCCCCCCOC(=O)C[N+]1(CCCCC1)C/C=C(/CC2=CC=C(C=C2)OC)\Cl.[Cl-] |
Product Overview
RefChem:1096331 (CAS 56080-89-8), with molecular formula C28H45Cl2NO3 and molecular weight 513.27765 g/mol. IUPAC: decyl 2-[1-[(Z)-3-chloro-4-(4-methoxyphenyl)but-2-enyl]piperidin-1-ium-1-yl]acetate chloride.
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