Basic information
- CAS
38450-67-8- Standard SMILES
COc1ccc2c(c1)c1c(n2C)C(c2ccncc2)NCC1.Cl- InChIKey
BEPWBNPOUXTADF-UHFFFAOYSA-N- Molecular formula
- C18H20ClN3O
- Average molar mass
- 329.8 g/mol
- Monoisotopic mass
- 329.12949
Names & identifiers
- Preferred name
- 1H-Pyrido(3,4-b)indole, 2,3,4,9-tetrahydro-6-methoxy-9-methyl-1-(4-pyridinyl)-, monohydrochloride
- IUPAC
- 6-methoxy-9-methyl-1-pyridin-4-yl-1,2,3,4-tetrahydropyrido[3,4-b]indole;hydrochloride
Names & synonyms
2,3,4,9-Tetrahydro-6-methoxy-9-methyl-1-(4-pyridinyl)-1H-pyrido(3,4-b)indole hydrochloride38450-67-81H-Pyrido(3,4-b)indole, 2,3,4,9-tetrahydro-6-methoxy-9-methyl-1-(4-pyridinyl)-, monohydrochlorideRefChem:240220DTXSID809593406-Methoxy-9-methyl-1-(pyridin-4-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole--hydrogen chloride (1/1)
Database identifiers
- CAS
38450-67-8- PubChem CID
- 217282
- DTXSID
DTXSID80959340
Properties
Computed structural properties
- Topological polar surface area
- 39.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 385
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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