Ammonium, 2-(hydroxypropyl)trimethyl-, iodide, (thymyloxy)acetate

HCID 208490

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Basic information

CAS: 32305-39-8
Standard SMILES: Cc1ccc(C(C)C)c(OCC(=O)OC(C)C[N+](C)(C)C)c1.[I-]
InChIKey: IHMMRSADAQVAIU-UHFFFAOYSA-M
Molecular formula: C18H30INO3
Average molar mass: 435.3 g/mol
Monoisotopic mass: 435.12704

Names & identifiers

Preferred name: Ammonium, 2-(hydroxypropyl)trimethyl-, iodide, (thymyloxy)acetate
IUPAC: trimethyl-[2-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]oxypropyl]azanium iodide

Names & synonyms

T 243532305-39-8Ammonium, 2-(hydroxypropyl)trimethyl-, iodide, (thymyloxy)acetateRefChem:319130n,n,n-trimethyl-2-({[5-methyl-2-(propan-2-yl)phenoxy]acetyl}oxy)propan-1-aminium iodideDTXSID90954104

Database identifiers

CAS: 32305-39-8
PubChem CID: 208490
DTXSID: DTXSID90954104

Properties

Computed structural properties

Topological polar surface area: 35.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 23
Formal charge: 0
Complexity: 349

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