5,5'-((2,4-Diphenylcyclobutane-1,3-diyl)bis(carbonyloxy))bis(N,N-diethyl-N-methylpentan-1-aminium) diiodide

HCID 24892

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Basic information

CAS: 10066-76-9
Standard SMILES: CC[N+](C)(CC)CCCCCOC(=O)C1C(c2ccccc2)C(C(=O)OCCCCC[N+](C)(CC)CC)C1c1ccccc1.[I-].[I-]
InChIKey: HZJNHORPHINCHO-UHFFFAOYSA-L
Molecular formula: C38H60I2N2O4
Average molar mass: 862.7 g/mol
Monoisotopic mass: 862.26425

Names & identifiers

Preferred name: 5,5'-((2,4-Diphenylcyclobutane-1,3-diyl)bis(carbonyloxy))bis(N,N-diethyl-N-methylpentan-1-aminium) diiodide
IUPAC: 5-[3-[5-[diethyl(methyl)azaniumyl]pentoxycarbonyl]-2,4-diphenylcyclobutanecarbonyl]oxypentyl-diethyl-methylazanium diiodide

Names & synonyms

DTXSID409056615,5'-((2,4-Diphenylcyclobutane-1,3-diyl)bis(carbonyloxy))bis(N,N-diethyl-N-methylpentan-1-aminium) diiodide5,5'-[(2,4-diphenylcyclobutane-1,3-diyl)bis(carbonyloxy)]bis(N,N-diethyl-N-methylpentan-1-aminium) diiodideRefChem:1072107DTXCID10133476410066-76-9Ammonium, diethyl(5-hydroxypentyl)methyl-, iodide, ester with (cis-1,2,trans-1,3,trans-1,4)-2,4-diphenyl-1,3-cyclobutanedicarboxylic acid (2:1)

Database identifiers

CAS: 10066-76-9
PubChem CID: 24892
DTXSID: DTXSID40905661

Properties

Computed structural properties

Topological polar surface area: 52.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 22
Heavy atoms: 46
Formal charge: 0
Complexity: 747

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