Basic information
- CAS
14120-84-4- Standard SMILES
CCOC(=O)C1(c2ccccc2)CC[NH+](CCC(=O)C2c3ccccc3CCc3ccccc32)CC1.[Cl-]- InChIKey
VEIYSFBRYDMOOS-UHFFFAOYSA-N- Molecular formula
- C32H36ClNO3
- Average molar mass
- 518.1 g/mol
- Monoisotopic mass
- 517.2383717
Names & identifiers
- Preferred name
- Isonipecotic acid, 1-(3-(10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)-3-oxopropyl)-4-phenyl-, ethyl ester, hydrobromide
- IUPAC
- ethyl 1-[3-oxo-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propyl]-4-phenylpiperidin-1-ium-4-carboxylate chloride
Names & synonyms
14120-84-4Isonipecotic acid, 1-(3-(10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)-3-oxopropyl)-4-phenyl-, ethyl ester, hydrobromideRefChem:349731
Database identifiers
- CAS
14120-84-4- PubChem CID
- 26469
Properties
Computed structural properties
- Topological polar surface area
- 47.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 712
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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