[1-[(2-Hydroxy-2,2-diphenylacetyl)oxymethyl]cyclopentyl]methyl-trimethylazanium

HCID 425211

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Basic information

CAS: 39943-17-4
Standard SMILES: C[N+](C)(C)CC1(COC(=O)C(O)(c2ccccc2)c2ccccc2)CCCC1
InChIKey: OENDDOFNNQMHGP-UHFFFAOYSA-N
Molecular formula: C24H32NO3+
Average molar mass: 382.5 g/mol
Monoisotopic mass: 382.23821888

Names & identifiers

Preferred name: [1-[(2-Hydroxy-2,2-diphenylacetyl)oxymethyl]cyclopentyl]methyl-trimethylazanium
IUPAC: [1-[(2-hydroxy-2,2-diphenylacetyl)oxymethyl]cyclopentyl]methyl-trimethylazanium

Names & synonyms

39943-17-4NSC171541[1-[(2-hydroxy-2,2-diphenylacetyl)oxymethyl]cyclopentyl]methyl-trimethylazaniumDTXSID30329938NSC-171541[1-({[Hydroxydi(phenyl)acetyl]oxy}methyl)cyclopentyl]-N,N,N-trimethylmethanaminium

Database identifiers

CAS: 39943-17-4
PubChem CID: 425211
DTXSID: DTXSID30329938

Properties

Computed structural properties

XLogP: 4.4
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 8
Heavy atoms: 28
Formal charge: 1
Complexity: 488

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