Basic information
- CAS
4655-40-7- Standard SMILES
COc1ccc2[nH]c3c(c2c1)CCNC3c1ccccn1.Cl- InChIKey
ULPODNYKEUGMKQ-UHFFFAOYSA-N- Molecular formula
- C17H18ClN3O
- Average molar mass
- 315.8 g/mol
- Monoisotopic mass
- 315.1138399
Names & identifiers
- Preferred name
- 1H-Pyrido(3,4-b)indole, 2,3,4,9-tetrahydro-6-methoxy-1-(2-pyridinyl)-, monohydrochloride
- IUPAC
- 6-methoxy-1-pyridin-2-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride
Names & synonyms
2,3,4,9-Tetrahydro-6-methoxy-1-(2-pyridinyl)-1H-pyrido(3,4-b)indole hydrochloride4655-40-71H-Pyrido(3,4-b)indole, 2,3,4,9-tetrahydro-6-methoxy-1-(2-pyridinyl)-, monohydrochlorideRefChem:240212DTXSID809636046-Methoxy-1-(pyridin-2-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole--hydrogen chloride (1/1)
Database identifiers
- CAS
4655-40-7- PubChem CID
- 199648
- DTXSID
DTXSID80963604
Properties
Computed structural properties
- Topological polar surface area
- 49.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 364
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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