5H-Cyclohept(b)indole, 6,7,8,9,10-pentahydro-2-chloro-5-(2-dimethylaminoethyl)-, oxalate
Basic information
- CAS
41734-63-8- Standard SMILES
C[NH+](C)CCn1c2c(c3cc(Cl)ccc31)CCCCC2.O=C([O-])C(=O)O- InChIKey
DBCNLXWMMVQGNL-UHFFFAOYSA-N- Molecular formula
- C19H25ClN2O4
- Average molar mass
- 380.9 g/mol
- Monoisotopic mass
- 380.150285
Names & identifiers
- Preferred name
- 5H-Cyclohept(b)indole, 6,7,8,9,10-pentahydro-2-chloro-5-(2-dimethylaminoethyl)-, oxalate
- IUPAC
- 2-(2-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-5-yl)ethyl-dimethylazanium;2-hydroxy-2-oxoacetate
Names & synonyms
5H-Cyclohept(b)indole, 6,7,8,9,10-pentahydro-2-chloro-5-(2-dimethylaminoethyl)-, oxalate41734-63-8DTXSID801945375H-Cyclohept(b)indole-5-ethanamine, 6,7,8,9,10-pentahydro-2-chloro-N,N-dimethyl-, oxalate6,7,8,9,10-Pentahydro-2-chloro-5-(2-dimethylaminoethyl)-5H-cyclohept(b)indole oxalateRefChem:305391DTXCID201170282-(2-Chloro-7,8,9,10-tetrahydrocyclohepta[b]indol-5(6H)-yl)-N,N-dimethylethan-1-aminium hydrogen ethanedioate
Database identifiers
- CAS
41734-63-8- PubChem CID
- 38967
- DTXSID
DTXSID80194537
Properties
Computed structural properties
- Topological polar surface area
- 86.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 398
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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