Basic information
- CAS
18065-91-3- Standard SMILES
COc1cc2c(cc1OC)C1CC(=S)C(CC(C)C)CN1CC2.Cl- InChIKey
JNTUTMOGTRZWSY-UHFFFAOYSA-N- Molecular formula
- C19H28ClNO2S
- Average molar mass
- 369.9 g/mol
- Monoisotopic mass
- 369.152928
Names & identifiers
- Preferred name
- 2H-Benzo(a)quinolizine-2-thione, 1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-, hydrochloride
- IUPAC
- 9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizine-2-thione;hydrochloride
Names & synonyms
1,3,4,6,7,11b-Hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2-thio-2H-benzo(a)quinolizine HCl18065-91-32H-Benzo(a)quinolizine-2-thione, 1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-, hydrochlorideRefChem:268595DTXSID209393639,10-Dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinoline-2-thione--hydrogen chloride (1/1)
Database identifiers
- CAS
18065-91-3- PubChem CID
- 205463
- DTXSID
DTXSID20939363
Properties
Computed structural properties
- Topological polar surface area
- 53.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 428
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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