5H-1,3-Dioxolo(4,5-f)pyrido(4,3-b)indole, 6,7,8,9-tetrahydro-5-(p-toluoyl)-8-methyl-, monohydrochloride
Basic information
- CAS
50279-99-7- Standard SMILES
Cc1ccc(C(=O)n2c3c(c4cc5c(cc42)OCO5)C[NH+](C)CC3)cc1.[Cl-]- InChIKey
FWEIIYWZIXRVLU-UHFFFAOYSA-N- Molecular formula
- C21H21ClN2O3
- Average molar mass
- 384.9 g/mol
- Monoisotopic mass
- 384.1240702
Names & identifiers
- Preferred name
- 5H-1,3-Dioxolo(4,5-f)pyrido(4,3-b)indole, 6,7,8,9-tetrahydro-5-(p-toluoyl)-8-methyl-, monohydrochloride
- IUPAC
- (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)-(4-methylphenyl)methanone chloride
Names & synonyms
50279-99-75H-1,3-Dioxolo(4,5-f)pyrido(4,3-b)indole, 6,7,8,9-tetrahydro-5-(p-toluoyl)-8-methyl-, monohydrochlorideRefChem:10734056,7,8,9-Tetrahydro-5-(p-toluoyl)-8-methyl-5H-1,3-dioxolo(4,5-f)pyrido(4,3-b)indole HCl
Database identifiers
- CAS
50279-99-7- PubChem CID
- 39578
Properties
Computed structural properties
- Topological polar surface area
- 44.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 547
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Compound notes
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