Basic information
- CAS
17901-74-5- Standard SMILES
[Cl-].c1ccc2c(c1)c1c(n2CC[NH+]2CCCCC2)CCCCC1- InChIKey
BXRYAWLSMILYEC-UHFFFAOYSA-N- Molecular formula
- C20H29ClN2
- Average molar mass
- 332.9 g/mol
- Monoisotopic mass
- 332.2019266
Names & identifiers
- Preferred name
- Cyclohept(b)indole, 5,6,7,8,9,10-hexahydro-5-(2-piperidinoethyl)-, monohydrochloride
- IUPAC
- 5-(2-piperidin-1-ium-1-ylethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole chloride
Names & synonyms
17901-74-55,6,7,8,9,10-Hexahydro-5-(2-piperidinoethyl)-cyclohept(b)indole hydrochlorideCyclohept(b)indole, 5,6,7,8,9,10-hexahydro-5-(2-piperidinoethyl)-, monohydrochlorideRefChem:335030
Database identifiers
- CAS
17901-74-5- PubChem CID
- 28828
Properties
Computed structural properties
- Topological polar surface area
- 9.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 350
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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