5H-Cyclohept(b)indole, 6,7,8,9,10-pentahydro-2-methoxy-5-(2-pyrrolidinoethyl)-, oxalate
Basic information
- CAS
41734-66-1- Standard SMILES
COc1ccc2c(c1)c1c(n2CC[NH+]2CCCC2)CCCCC1.O=C([O-])C(=O)O- InChIKey
SRFMHOLEFXEWAN-UHFFFAOYSA-N- Molecular formula
- C22H30N2O5
- Average molar mass
- 402.5 g/mol
- Monoisotopic mass
- 402.21547206
Names & identifiers
- Preferred name
- 5H-Cyclohept(b)indole, 6,7,8,9,10-pentahydro-2-methoxy-5-(2-pyrrolidinoethyl)-, oxalate
- IUPAC
- 2-hydroxy-2-oxoacetate;2-methoxy-5-(2-pyrrolidin-1-ium-1-ylethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole
Names & synonyms
5H-Cyclohept(b)indole, 6,7,8,9,10-pentahydro-2-methoxy-5-(2-pyrrolidinoethyl)-, oxalate41734-66-1DTXSID101945406,7,8,9,10-Pentahydro-2-methoxy-5-(2-pyrrolidinoethyl)-5H-cyclohept(b)indole oxalateRefChem:305393DTXCID501170311-[2-(2-Methoxy-7,8,9,10-tetrahydrocyclohepta[b]indol-5(6H)-yl)ethyl]pyrrolidin-1-ium hydrogen ethanedioate
Database identifiers
- CAS
41734-66-1- PubChem CID
- 38973
- DTXSID
DTXSID10194540
Properties
Computed structural properties
- Topological polar surface area
- 96 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 460
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Compound notes
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