ethyl 4-phenyl-1-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)ethyl]piperidin-1-ium-4-carboxylate chloride
ethyl 4-phenyl-1-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)ethyl]piperidin-1-ium-4-carboxylate chloride
| Molecular Formula | C31H36ClNO2 |
|---|---|
| Molecular Weight | 490.1 g/mol |
| Topological Polar Surface Area | 30.7 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 489.24347 |
| Heavy Atoms | 35 |
| Complexity | 624.0 |
Chemical Identifiers
| CAS Number | 14120-78-6 |
|---|---|
| SMILES | CCOC(=O)C1(CC[NH+](CC1)CCC2C3=CC=CC=C3CCC4=CC=CC=C24)C5=CC=CC=C5.[Cl-] |
| InChIKey | XFTRVYGFZLNZEZ-UHFFFAOYSA-N |
📖 Product Overview
ethyl 4-phenyl-1-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)ethyl]piperidin-1-ium-4-carboxylate chloride (CAS: 14120-78-6) is a chemical compound with molecular formula C31H36ClNO2 and molecular weight 490.1 g/mol. Its IUPAC systematic name is ethyl 4-phenyl-1-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)ethyl]piperidin-1-ium-4-carboxylate chloride.
XFTRVYGFZLNZEZ-UHFFFAOYSA-N.
SMILES: CCOC(=O)C1(CC[NH+](CC1)CCC2C3=CC=CC=C3CCC4=CC=CC=C24)C5=CC=CC=C5.[Cl-].
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Multi-source research profile: chemical properties, regulatory status, and sourcing guide for ethyl 4-phenyl-1-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)ethyl]piperidin-1-ium-4-carboxylate chloride.
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