1H-Pyrido(3,4-b)indole, 2,3,4,9-tetrahydro-3,9-dimethyl-6-methoxy-1-(3-pyridinyl)-, monohydrochloride
Basic information
- CAS
40717-63-3- Standard SMILES
COc1ccc2c(c1)c1c(n2C)C(c2cccnc2)NC(C)C1.Cl- InChIKey
JSFAQMJBRZLWEQ-UHFFFAOYSA-N- Molecular formula
- C19H22ClN3O
- Average molar mass
- 343.8 g/mol
- Monoisotopic mass
- 343.14514
Names & identifiers
- Preferred name
- 1H-Pyrido(3,4-b)indole, 2,3,4,9-tetrahydro-3,9-dimethyl-6-methoxy-1-(3-pyridinyl)-, monohydrochloride
- IUPAC
- 6-methoxy-3,9-dimethyl-1-pyridin-3-yl-1,2,3,4-tetrahydropyrido[3,4-b]indole;hydrochloride
Names & synonyms
40717-63-32,3,4,9-Tetrahydro-3,9-dimethyl-6-methoxy-1-(3-pyridinyl)-1H-pyrido(3,4-b)indole HCl1H-Pyrido(3,4-b)indole, 2,3,4,9-tetrahydro-3,9-dimethyl-6-methoxy-1-(3-pyridinyl)-, monohydrochlorideRefChem:240206DTXSID809611406-Methoxy-3,9-dimethyl-1-(pyridin-3-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole--hydrogen chloride (1/1)
Database identifiers
- CAS
40717-63-3- PubChem CID
- 218508
- DTXSID
DTXSID80961140
Properties
Computed structural properties
- Topological polar surface area
- 39.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 417
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Compound notes
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