Ammonium, (2-(9,10-ethanoanthracen-9(10H)-yloxy)ethyl)trimethyl-, iodide

HCID 27307

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Basic information

CAS: 15471-00-8
Standard SMILES: C[N+](C)(C)CCOC12CCC(c3ccccc31)c1ccccc12.[I-]
InChIKey: GAZHUOJJSOVPSB-UHFFFAOYSA-M
Molecular formula: C21H26INO
Average molar mass: 435.3 g/mol
Monoisotopic mass: 435.10591

Names & identifiers

Preferred name: Ammonium, (2-(9,10-ethanoanthracen-9(10H)-yloxy)ethyl)trimethyl-, iodide
IUPAC: trimethyl-[2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyloxy)ethyl]azanium iodide

Names & synonyms

(2-(9,10-Ethanoanthracen-9(10H)-yloxy)ethyl)trimethylammonium iodide15471-00-89,10-Dihydro-9-(2-dimethylaminoethoxy)-9,10-ethanoanthracene methyliodide9,10-Ethanoanthracene, 9,10-dihydro-9-(2-dimethylaminoethoxy)-, methyliodideAMMONIUM, (2-(9,10-ETHANOANTHRACEN-9(10H)-YLOXY)ETHYL)TRIMETHYL-, IODIDERefChem:318756DTXSID809350482-[(9,10-Ethanoanthracen-9(10H)-yl)oxy]-N,N,N-trimethylethan-1-aminium iodide

Database identifiers

CAS: 15471-00-8
PubChem CID: 27307
DTXSID: DTXSID80935048

Properties

Computed structural properties

Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 24
Formal charge: 0
Complexity: 402

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