2-(Benzoyloxy)-N,N,N-trimethyl-2-phenylethan-1-aminium iodide

HCID 52042

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Basic information

CAS: 73664-20-7
Standard SMILES: C[N+](C)(C)CC(OC(=O)c1ccccc1)c1ccccc1.[I-]
InChIKey: JHRCBERGOHNJLQ-UHFFFAOYSA-M
Molecular formula: C18H22INO2
Average molar mass: 411.3 g/mol
Monoisotopic mass: 411.06953

Names & identifiers

Preferred name: 2-(Benzoyloxy)-N,N,N-trimethyl-2-phenylethan-1-aminium iodide
IUPAC: (2-benzoyloxy-2-phenylethyl)-trimethylazanium iodide

Names & synonyms

73664-20-7DTXSID509944802-(Benzoyloxy)-N,N,N-trimethyl-2-phenylethan-1-aminium iodideRefChem:1061458DTXCID101421513NIOSH/BR1578010BR15780100(beta-Hydroxyphenethyl)trimethylammonium iodide benzoate (ester)Ammonium, (beta-hydroxyphenethyl)trimethyl-, iodide, benzoate (ester)Ammonium, (beta-benzoyloxyphenethyl)trimethyl-, iodide2-Dimethylamino-1-phenylethanol, benzoate ester, methiodideAMMONIUM, (beta-HYDROXYPHENETHYL)TRIMETHYL-, IODIDE, BENZOATE

Database identifiers

CAS: 73664-20-7
PubChem CID: 52042
DTXSID: DTXSID50994480

Properties

Computed structural properties

Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 6
Heavy atoms: 22
Formal charge: 0
Complexity: 323

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