Basic information
- CAS
70145-77-6- Standard SMILES
C[NH+]1CCC(CC2c3ccccc3CCc3ccccc32)C1.O=C([O-])C(=O)O- InChIKey
QVDACYKTBRDDAY-UHFFFAOYSA-N- Molecular formula
- C23H27NO4
- Average molar mass
- 381.5 g/mol
- Monoisotopic mass
- 381.19400834
Names & identifiers
- Preferred name
- 5H-Dibenzo(a,d)cycloheptene, 10,11-dihydro-5-(1-methyl-3-pyrrolidinylmethyl)-, oxalate
- IUPAC
- 2-hydroxy-2-oxoacetate;1-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)pyrrolidin-1-ium
Names & synonyms
5H-Dibenzo(a,d)cycloheptene, 10,11-dihydro-5-(1-methyl-3-pyrrolidinylmethyl)-, oxalate10,11-Dihydro-5-(1-methyl-3-pyrrolidinylmethyl)-5H-dibenzo(a,d)cycloheptene oxalate70145-77-6RefChem:305547
Database identifiers
- CAS
70145-77-6- PubChem CID
- 50996
Properties
Computed structural properties
- Topological polar surface area
- 81.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 419
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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