Ammonium, ((2-hydroxy-5-pentyl)phenyl)trimethyl-, iodide, dimethylcarbamate

HCID 47271

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Basic information

CAS: 64070-78-6
Standard SMILES: CCCCCc1ccc(OC(=O)N(C)C)c([N+](C)(C)C)c1.[I-]
InChIKey: ZZLATZFTRCRUMR-UHFFFAOYSA-M
Molecular formula: C17H29IN2O2
Average molar mass: 420.3 g/mol
Monoisotopic mass: 420.12738

Names & identifiers

Preferred name: Ammonium, ((2-hydroxy-5-pentyl)phenyl)trimethyl-, iodide, dimethylcarbamate
IUPAC: [2-(dimethylcarbamoyloxy)-5-pentylphenyl]-trimethylazanium iodide

Names & synonyms

SB-2264070-78-6Carbamic acid, dimethyl-, (4-tert-pentyl-2-(trimethylammonio)phenyl) ester, iodideAmmonium, (2-(dimethylcarbamoyloxy)-5-tert-pentylphenyl)trimethyl-, iodideCarbamic acid, N,N-dimethyl-, 2-dimethylamino-4-tert-amylphenyl ester, methiodideAMMONIUM, ((2-HYDROXY-5-PENTYL)PHENYL)TRIMETHYL-, IODIDE, DIMETHYLCARBAMATERefChem:318623SCHEMBL29531393DTXSID109825652-[(Dimethylcarbamoyl)oxy]-N,N,N-trimethyl-5-pentylanilinium iodide

Database identifiers

CAS: 64070-78-6
PubChem CID: 47271
DTXSID: DTXSID10982565

Properties

Computed structural properties

Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 7
Heavy atoms: 22
Formal charge: 0
Complexity: 323

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