1,4-Dimethylquinolinium

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Basic information

CAS: 18241-37-7
Standard SMILES: Cc1cc[n+](C)c2ccccc12
InChIKey: OHQGKTJQWANGLW-UHFFFAOYSA-N
Molecular formula: C11H12N+
Average molar mass: 158.22 g/mol
Monoisotopic mass: 158.09697439

Names & identifiers

Preferred name: 1,4-Dimethylquinolinium
IUPAC: 1,4-dimethylquinolin-1-ium

Names & synonyms

1,4-dimethylquinolinium18241-37-71,4-DIMETHYLQUINOLIN-1-IUMSCHEMBL1049804CHEMBL1896452SCHEMBL30894444DTXSID80360896AKOS002936605NCGC00186486-01NCGC00186486-02NCGC00186486-03AC-907/25005146

Show more names

AE-641/00568019

Database identifiers

CAS: 18241-37-7
PubChem CID: 1201433
DTXSID: DTXSID80360896
ChEMBL: CHEMBL1896452
Nikkaji: J413.808B

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 3.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 1
Complexity: 155

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Compound notes

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