Trimethyl-(5-oxo-4,4-diphenylheptan-2-yl)azanium

HCID 44796

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Basic information

CAS: 5394-92-3
Standard SMILES: CCC(=O)C(CC(C)[N+](C)(C)C)(c1ccccc1)c1ccccc1
InChIKey: NMVDHOFPDMNERE-UHFFFAOYSA-N
Molecular formula: C22H30NO+
Average molar mass: 324.5 g/mol
Monoisotopic mass: 324.23273958

Names & identifiers

Preferred name: Trimethyl-(5-oxo-4,4-diphenylheptan-2-yl)azanium
IUPAC: trimethyl-(5-oxo-4,4-diphenylheptan-2-yl)azanium

Names & synonyms

trimethyl-(5-oxo-4,4-diphenylheptan-2-yl)azanium5394-92-3NSC877DTXSID00275473NSC-877NSC21575NSC-21575N,N,N-trimethyl-5-oxo-4,4-diphenylheptan-2-aminiumTRIMETHYL(1-METHYL-4-OXO-3,3-DIPHENYLHEXYL)AMMONIUM IODIDE

Database identifiers

CAS: 5394-92-3
PubChem CID: 44796
DTXSID: DTXSID00275473
Nikkaji: J383.655J

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 7
Heavy atoms: 24
Formal charge: 1
Complexity: 379

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