Benzenepropanaminium, gamma-hydroxy-2,5-dimethoxy-N,N,N,alpha-tetramethyl-gamma-phenyl-, iodide (1:1)

HCID 14191

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Basic information

CAS: 1099-73-6
Standard SMILES: COc1ccc(OC)c(C(O)(CC(C)[N+](C)(C)C)c2ccccc2)c1.[I-]
InChIKey: BIMKPYYUQXWQKN-UHFFFAOYSA-M
Molecular formula: C21H30INO3
Average molar mass: 471.4 g/mol
Monoisotopic mass: 471.12704

Names & identifiers

Preferred name: Benzenepropanaminium, gamma-hydroxy-2,5-dimethoxy-N,N,N,alpha-tetramethyl-gamma-phenyl-, iodide (1:1)
IUPAC: [4-(2,5-dimethoxyphenyl)-4-hydroxy-4-phenylbutan-2-yl]-trimethylazanium iodide

Names & synonyms

1099-73-6Benzenepropanaminium, gamma-hydroxy-2,5-dimethoxy-N,N,N,alpha-tetramethyl-gamma-phenyl-, iodide (1:1)RefChem:1078593YS 3643(4-(2,5-Dimethoxyphenyl)-4-hydroxy-4-phenyl-2-butyl)trimethylammonium iodide[4-(2,5-dimethoxyphenyl)-4-hydroxy-4-phenylbutan-2-yl]-trimethylazanium;iodideAMMONIUM, (4-(2,5-DIMETHOXYPHENYL)-4-HYDROXY-4-PHENYL-2-BUTYL)TRIMETHYL-, IODIDEorb1694715DTXSID10911395AKOS040754545T352784-(2,5-dimethoxyphenyl)-4-hydroxy-N,N,N-trimethyl-4-phenylbutan-2-aminium iodide

Database identifiers

CAS: 1099-73-6
PubChem CID: 14191
DTXSID: DTXSID10911395

Properties

Computed structural properties

Topological polar surface area: 38.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 7
Heavy atoms: 26
Formal charge: 0
Complexity: 402

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