O-Methylptelefolonium
Basic information
- CAS
52768-97-5- Standard SMILES
C=C(C)C1Cc2c(OC)c3cc(OC)cc(OC)c3[n+](C)c2O1- InChIKey
GZDGTOJAUNXBGU-UHFFFAOYSA-N- Molecular formula
- C18H22NO4+
- Average molar mass
- 316.4 g/mol
- Monoisotopic mass
- 316.15488318
Overview
O-Methylptelefolonium is an organic heterotricyclic compound, an organonitrogen heterocyclic compound and an oxacycle.
Names & identifiers
- Preferred name
- O-Methylptelefolonium
- IUPAC
- 4,6,8-trimethoxy-9-methyl-2-prop-1-en-2-yl-2,3-dihydrofuro[2,3-b]quinolin-9-ium
Names & synonyms
O-Methylptelefolonium52768-97-5C107324,6,8-trimethoxy-9-methyl-2-prop-1-en-2-yl-2,3-dihydrofuro[2,3-b]quinolin-9-iumAC1L3XQKCHEBI:7687SCHEMBL31238244DTXSID70276417Q271075602-isopropenyl-4,6,8-trimethoxy-9-methyl-2,3-dihydrofuro[2,3-b]quinolin-9-ium4,6,8-Trimethoxy-9-methyl-2-(prop-1-en-2-yl)-2,3-dihydrofuro[2,3-b]quinolin-9-ium
Database identifiers
- CAS
52768-97-5- PubChem CID
- 148759
- DTXSID
DTXSID70276417- ChEBI
CHEBI:7687- Nikkaji
- J2.775.707C
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 40.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 1
- Complexity
- 443
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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