Basic information
- CAS
50280-02-9- Standard SMILES
C[NH+]1CCc2c(c3cc4c(cc3n2C(=O)CC2CCCC2)OCO4)C1.[Cl-]- InChIKey
CKQVEMRYOCIJMY-UHFFFAOYSA-N- Molecular formula
- C20H25ClN2O3
- Average molar mass
- 376.9 g/mol
- Monoisotopic mass
- 376.1553704
Names & identifiers
- Preferred name
- 5H-1,3-Dioxolo(4,5-f)pyrido(4,3-b)indole, 6,7,8,9-tetrahydro-5-(cyclopentylacetyl)-8-methyl-, monohydrochloride
- IUPAC
- 2-cyclopentyl-1-(4-methyl-12,14-dioxa-8-aza-4-azoniatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),9,11(15)-tetraen-8-yl)ethanone chloride
Names & synonyms
50280-02-95H-1,3-Dioxolo(4,5-f)pyrido(4,3-b)indole, 6,7,8,9-tetrahydro-5-(cyclopentylacetyl)-8-methyl-, monohydrochlorideRefChem:10733976,7,8,9-Tetrahydro-5-(cyclopentylacetyl)-8-methyl-5H-1,3-dioxolo(4,5-f)pyrido(4,3-b)indole HCl
Database identifiers
- CAS
50280-02-9- PubChem CID
- 39584
Properties
Computed structural properties
- Topological polar surface area
- 44.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 521
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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