Ammonium, (3-((5H-dibenzo(a,d)cyclohepten-5-ylideneamino)oxy)propyl)trimethyl-, iodide

HCID 212988

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Basic information

CAS: 25450-04-8
Standard SMILES: C[N+](C)(C)CCCON=c1c2ccccc2ccc2ccccc12.[I-]
InChIKey: LFGGLDNXBOZFAG-UHFFFAOYSA-M
Molecular formula: C21H25IN2O
Average molar mass: 448.3 g/mol
Monoisotopic mass: 448.10116

Names & identifiers

Preferred name: Ammonium, (3-((5H-dibenzo(a,d)cyclohepten-5-ylideneamino)oxy)propyl)trimethyl-, iodide
IUPAC: trimethyl-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylideneamino)oxypropyl]azanium iodide

Names & synonyms

LM 2913(3-((5H-Dibenzo(a,d)cyclohepten-5-ylideneamino)oxy)propyl)trimethylammonium iodide25450-04-8Ammonium, (3-((5H-dibenzo(a,d)cyclohepten-5-ylideneamino)oxy)propyl)trimethyl-, iodideRefChem:318833DTXSID809483303-{[(5H-Dibenzo[a,d][7]annulen-5-ylidene)amino]oxy}-N,N,N-trimethylpropan-1-aminium iodide

Database identifiers

CAS: 25450-04-8
PubChem CID: 212988
DTXSID: DTXSID80948330

Properties

Computed structural properties

Topological polar surface area: 21.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 25
Formal charge: 0
Complexity: 435

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