Echinorine
Basic information
- CAS
18095-64-2- Standard SMILES
COc1cc[n+](C)c2ccccc12- InChIKey
KPTSUNASDHGNQY-UHFFFAOYSA-N- Molecular formula
- C11H12NO+
- Average molar mass
- 174.22 g/mol
- Monoisotopic mass
- 174.09188901
Overview
Echinorine is a member of quinolines.
Names & identifiers
- Preferred name
- Echinorine
- IUPAC
- 4-methoxy-1-methylquinolin-1-ium
- English name
- Echinorine
- Molecular formula
- C11H12NO+
- Molecular weight
- 174.22
Names & synonyms
EchinorineQuinolinium, 4-methoxy-1-methyl-18095-64-2C106654-methoxy-1-methylquinolin-1-iumAC1L9DLQSureCN6334665CHEBI:4750SCHEMBL6334665DTXSID709393934-methoxy-1-methyl-quinolin-1-iumMethyl(1-methylquinolin-4(1H)-ylidene)oxidanium
Show more names
4-Methoxy-1-methylquinolinium
Q27106466
Database identifiers
- CAS
18095-64-2- PubChem CID
- 442898
- DTXSID
DTXSID70939393- ChEBI
CHEBI:4750- Nikkaji
- J13.375B
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 13.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 1
- Complexity
- 171
Chemistry & industry
Additional notes
DefinitionChEBI: Echinorine is a member of quinolines.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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