3-Hydroxy-N,N,N-trimethyl-3-phenyl-3-(thiophen-2-yl)propan-1-aminium iodide

HCID 9652

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Basic information

CAS: 357-76-6
Standard SMILES: C[N+](C)(C)CCC(O)(c1ccccc1)c1cccs1.[I-]
InChIKey: WSJMOXGMNDDXMQ-UHFFFAOYSA-M
Molecular formula: C16H22INOS
Average molar mass: 403.3 g/mol
Monoisotopic mass: 403.04668

Names & identifiers

Preferred name: 3-Hydroxy-N,N,N-trimethyl-3-phenyl-3-(thiophen-2-yl)propan-1-aminium iodide
IUPAC: (3-hydroxy-3-phenyl-3-thiophen-2-ylpropyl)-trimethylazanium iodide

Names & synonyms

357-76-6DTXSID009571013-hydroxy-n,n,n-trimethyl-3-phenyl-3-(thiophen-2-yl)propan-1-aminium iodideRefChem:1067981DTXCID101385050(3-Hydroxy-3-phenyl-3-(2-thienyl)propyl)trimethylammonium iodide2-Thiophenepropanaminium, gamma-hydroxy-N,N,N-trimethyl-gamma-phenyl-, iodideAMMONIUM, (3-HYDROXY-3-PHENYL-3-(2-THIENYL)PROPYL)TRIMETHYL-, IODIDE

Database identifiers

CAS: 357-76-6
PubChem CID: 9652
DTXSID: DTXSID00957101

Properties

Computed structural properties

Topological polar surface area: 48.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 20
Formal charge: 0
Complexity: 283

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