5H-Cyclohept(b)indole, 6,7,8,9,10-pentahydro-2-chloro-5-(2-pyrrolidinoethyl)-, oxalate
Basic information
- CAS
41734-64-9- Standard SMILES
Clc1ccc2c(c1)c1c(n2CC[NH+]2CCCC2)CCCCC1.O=C([O-])C(=O)O- InChIKey
MIIYVLOYDITEFL-UHFFFAOYSA-N- Molecular formula
- C21H27ClN2O4
- Average molar mass
- 406.9 g/mol
- Monoisotopic mass
- 406.165935
Names & identifiers
- Preferred name
- 5H-Cyclohept(b)indole, 6,7,8,9,10-pentahydro-2-chloro-5-(2-pyrrolidinoethyl)-, oxalate
- IUPAC
- 2-chloro-5-(2-pyrrolidin-1-ium-1-ylethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole;2-hydroxy-2-oxoacetate
Names & synonyms
5H-Cyclohept(b)indole, 6,7,8,9,10-pentahydro-2-chloro-5-(2-pyrrolidinoethyl)-, oxalate41734-64-9DTXSID401945386,7,8,9,10-Pentahydro-2-chloro-5-(2-pyrrolidinoethyl)-5H-cyclohept(b)indole oxalateRefChem:305392DTXCID801170291-[2-(2-Chloro-7,8,9,10-tetrahydrocyclohepta[b]indol-5(6H)-yl)ethyl]pyrrolidin-1-ium hydrogen ethanedioate
Database identifiers
- CAS
41734-64-9- PubChem CID
- 38969
- DTXSID
DTXSID40194538
Properties
Computed structural properties
- Topological polar surface area
- 86.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 446
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Compound notes
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