1,2,10-Trimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo(de,g)quinolin-6-ium-11-olate--hydrogen chloride (1/1)
Basic information
- CAS
20911-73-3- Standard SMILES
COc1ccc2c(c1O)-c1c(OC)c(OC)cc3c1C(C2)[N+](C)(C)CC3.[Cl-]- InChIKey
PAEPOVLQEIALGP-UHFFFAOYSA-N- Molecular formula
- C21H26ClNO4
- Average molar mass
- 391.9 g/mol
- Monoisotopic mass
- 391.155036
Names & identifiers
- Preferred name
- 1,2,10-Trimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo(de,g)quinolin-6-ium-11-olate--hydrogen chloride (1/1)
- IUPAC
- 1,2,10-trimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-11-ol chloride
Names & synonyms
DTXSID709431721,2,10-Trimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo(de,g)quinolin-6-ium-11-olate--hydrogen chloride (1/1)RefChem:1051857DTXCID401371549Menisperine chloride20911-73-36a-alpha-APORPHINIUM, 11-HYDROXY-1,2,10-TRIMETHOXY-6-METHYL-, CHLORIDE
Database identifiers
- CAS
20911-73-3- PubChem CID
- 30357
Properties
Computed structural properties
- Topological polar surface area
- 47.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 512
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Related reactions
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Compound notes
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