Basic information
- CAS
41734-65-0- Standard SMILES
CC[NH+](CC)CCn1c2c(c3cc(OC)ccc31)CCCCC2.O=C([O-])C(=O)O- InChIKey
QQHOXTLZPFVBHG-UHFFFAOYSA-N- Molecular formula
- C22H32N2O5
- Average molar mass
- 404.5 g/mol
- Monoisotopic mass
- 404.23112213
Names & identifiers
- Preferred name
- 5H-Cyclohept(b)indole, 6,7,8,9,10-pentahydro-5-(2-diethylaminoethyl)-2-methoxy-, oxalate
- IUPAC
- diethyl-[2-(2-methoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-5-yl)ethyl]azanium;2-hydroxy-2-oxoacetate
Names & synonyms
5H-Cyclohept(b)indole, 6,7,8,9,10-pentahydro-5-(2-diethylaminoethyl)-2-methoxy-, oxalate41734-65-0DTXSID001945395H-Cyclohept(b)indole-5-ethanamine, 6,7,8,9,10-pentahydro-N,N-diethyl-2-methoxy-, oxalate6,7,8,9,10-Pentahydro-5-(2-diethylaminoethyl)-2-methoxy-5H-cyclohept(b)indole oxalateRefChem:305394DTXCID90117030N,N-Diethyl-2-(2-methoxy-7,8,9,10-tetrahydrocyclohepta[b]indol-5(6H)-yl)ethan-1-aminium hydrogen ethanedioate
Database identifiers
- CAS
41734-65-0- PubChem CID
- 38971
- DTXSID
DTXSID00194539
Properties
Computed structural properties
- Topological polar surface area
- 96 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 436
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…