n,n,n-Trimethyl(1-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)methanaminium iodide

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Basic information

CAS: 71666-51-8
Standard SMILES: C[N+](C)(C)CC1CCc2ccccc2C1=O.[I-]
InChIKey: BPERJTVPTVXRSE-UHFFFAOYSA-M
Molecular formula: C14H20INO
Average molar mass: 345.22 g/mol
Monoisotopic mass: 345.05896

Names & identifiers

Preferred name: n,n,n-Trimethyl(1-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)methanaminium iodide
IUPAC: trimethyl-[(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)methyl]azanium iodide

Names & synonyms

71666-51-8n,n,n-trimethyl(1-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)methanaminium iodideNSC656280SCHEMBL9133212CHEMBL1983281DTXSID90992263NSC-6562802-Naphthalenemethanaminium,2,3,4-tetrahydro-N,N,N-trimethyl-1-oxo-, iodide

Database identifiers

CAS: 71666-51-8
PubChem CID: 375929
DTXSID: DTXSID90992263
ChEMBL: CHEMBL1983281

Properties

Computed structural properties

Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 17
Formal charge: 0
Complexity: 266

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Compound notes

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