RefChem:305378
(1-methylpiperidin-1-ium-2-yl)methyl 2-(8,9-dihydro-7H-benzo[7]annulen-3-yl)acetate chloride
Also Known As: AC1L1ZVQ|RefChem:305378|5H-Benzocycloheptene-9-acetic acid, 6,7-dihydro-, (1-methyl-2-piperidinyl)methyl ester, hydrochloride|(1-methylpiperidin-1-ium-2-yl)methyl2-(8,9-dihydro-7H-benzo[7]annulen-3-yl)acetate chloride|5H-BENZOCYCLOHEPTENE-9-ACETIC ACID, 6,7-DIHYDRO-, (1-METHYL-2-PIPERIDINYL)METHYL|(1-methylpiperidin-1-ium-2-yl)methyl 2-(8,9-dihydro-7H-benzo[7]annulen-3-yl)acetate chloride
| Molecular Formula | C20H28ClNO2 |
|---|---|
| Molecular Weight | 349.18085 g/mol |
| LogP | -0.81 |
| Topological Polar Surface Area | 30.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 349.18085 |
| Heavy Atoms | 24 |
| Complexity | 585.0 |
Chemical Identifiers
| CAS Number | 40494-44-8 |
|---|---|
| SMILES | C[NH+]1CCCCC1COC(=O)CC2=CC3=C(CCCC=C3)C=C2.[Cl-] |
Product Overview
RefChem:305378 (CAS 40494-44-8), with molecular formula C20H28ClNO2 and molecular weight 349.18085 g/mol. IUPAC: (1-methylpiperidin-1-ium-2-yl)methyl 2-(8,9-dihydro-7H-benzo[7]annulen-3-yl)acetate chloride.
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