Basic information
- CAS
41734-72-9- Standard SMILES
Clc1ccc2c3ccccc3n(CC[NH+]3CCCC3)c2c1.O=C([O-])C(=O)O- InChIKey
KHJRUGPUYSZNEP-UHFFFAOYSA-N- Molecular formula
- C20H21ClN2O4
- Average molar mass
- 388.8 g/mol
- Monoisotopic mass
- 388.1189848
Names & identifiers
- Preferred name
- Carbazole, 3-chloro-9-(2-pyrrolidinoethyl)-, oxalate
- IUPAC
- 2-chloro-9-(2-pyrrolidin-1-ium-1-ylethyl)carbazole;2-hydroxy-2-oxoacetate
Names & synonyms
CARBAZOLE, 3-CHLORO-9-(2-PYRROLIDINOETHYL)-, OXALATE3-Chloro-9-(2-pyrrolidinoethyl)carbazole oxalate9H-Carbazole, 3-chloro-9-(2-pyrrolidinoethyl)-, oxalate41734-72-9DTXSID50194544RefChem:333267DTXCID901170351-[2-(2-Chloro-9H-carbazol-9-yl)ethyl]pyrrolidin-1-ium hydrogen ethanedioate
Database identifiers
- CAS
41734-72-9- PubChem CID
- 38985
- DTXSID
DTXSID50194544
Properties
Computed structural properties
- Topological polar surface area
- 86.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 433
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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