Ammonium, ((4-hydroxy-2-heptyl)phenyl)trimethyl-, iodide, dimethylcarbamate

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Basic information

CAS: 64046-22-6
Standard SMILES: CCCCCCCc1cc(OC(=O)N(C)C)ccc1[N+](C)(C)C.[I-]
InChIKey: TZRRQCWKCWLGME-UHFFFAOYSA-M
Molecular formula: C19H33IN2O2
Average molar mass: 448.4 g/mol
Monoisotopic mass: 448.15868

Names & identifiers

Preferred name: Ammonium, ((4-hydroxy-2-heptyl)phenyl)trimethyl-, iodide, dimethylcarbamate
IUPAC: [4-(dimethylcarbamoyloxy)-2-heptylphenyl]-trimethylazanium iodide

Names & synonyms

TL-1464Ammonium, ((4-(N,N-dimethylcarbamoyloxy)-2-heptyl)phenyl)trimethyl-, iodideCarbamic acid, dimethyl-, ((4-trimethylammonio)-3-heptyl)phenyl ester, iodide64046-22-6Carbamic acid, N,N-dimethyl-, 3-heptyl-4-dimethylaminophenyl ester, methiodideAMMONIUM, ((4-HYDROXY-2-HEPTYL)PHENYL)TRIMETHYL-, IODIDE, DIMETHYLCARBAMATERefChem:318646DTXSID909821644-[(DIMETHYLCARBAMOYL)OXY]-2-HEPTYL-N,N,N-TRIMETHYLANILINIUM IODIDE

Database identifiers

CAS: 64046-22-6
PubChem CID: 46592
DTXSID: DTXSID90982164

Properties

Computed structural properties

Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 9
Heavy atoms: 24
Formal charge: 0
Complexity: 350

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Compound notes

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