1-Oxa-3-aza-8-azoniaspiro(4.5)decane, 3-methyl-4-methylene-2-oxo-8,8-bis(3-phenylpropyl)-, iodide

HCID 3077288

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Basic information

CAS: 134070-01-2
Standard SMILES: C=C1N(C)C(=O)OC12CC[N+](CCCc1ccccc1)(CCCc1ccccc1)CC2.[I-]
InChIKey: RTZOUPCGTRNNAF-UHFFFAOYSA-M
Molecular formula: C27H35IN2O2
Average molar mass: 546.5 g/mol
Monoisotopic mass: 546.17433

Names & identifiers

Preferred name: 1-Oxa-3-aza-8-azoniaspiro(4.5)decane, 3-methyl-4-methylene-2-oxo-8,8-bis(3-phenylpropyl)-, iodide
IUPAC: 3-methyl-4-methylidene-8,8-bis(3-phenylpropyl)-1-oxa-3-aza-8-azoniaspiro[4.5]decan-2-one iodide

Names & synonyms

1-Oxa-3-aza-8-azoniaspiro(4.5)decane, 3-methyl-4-methylene-2-oxo-8,8-bis(3-phenylpropyl)-, iodide134070-01-2RefChem:232694DTXSID809284153-Methyl-4-methylidene-2-oxo-8,8-bis(3-phenylpropyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-ium iodide

Database identifiers

CAS: 134070-01-2
PubChem CID: 3077288
DTXSID: DTXSID80928415

Properties

Computed structural properties

Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 8
Heavy atoms: 32
Formal charge: 0
Complexity: 585

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