Ammonium, diethyl(2-hydroxyethyl)methyl-, iodide, 3,4-diphenyl-2,5-thiophenedicarboxylate(2:1)

HCID 29784

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 19802-94-9
Standard SMILES: CC[N+](C)(CC)CCOC(=O)c1sc(C(=O)OCC[N+](C)(CC)CC)c(-c2ccccc2)c1-c1ccccc1.[I-].[I-]
InChIKey: FQPWVYVMYMVYIC-UHFFFAOYSA-L
Molecular formula: C32H44I2N2O4S
Average molar mass: 806.6 g/mol
Monoisotopic mass: 806.11112

Names & identifiers

Preferred name: Ammonium, diethyl(2-hydroxyethyl)methyl-, iodide, 3,4-diphenyl-2,5-thiophenedicarboxylate(2:1)
IUPAC: 2-[5-[2-[diethyl(methyl)azaniumyl]ethoxycarbonyl]-3,4-diphenylthiophene-2-carbonyl]oxyethyl-diethyl-methylazanium diiodide

Names & synonyms

19802-94-9Diethyl(2-hydroxyethyl)methylammonium iodide 3,4-diphenyl-2,5-thiophenedicarboxylate (2:1)Ammonium, diethyl(2-hydroxyethyl)methyl-, iodide, 3,4-diphenyl-2,5-thiophenedicarboxylate(2:1)RefChem:319234DTXSID30941614N,N'-[(3,4-Diphenylthiene-2,5-diyl)bis(carbonyloxyethane-2,1-diyl)]bis(N-ethyl-N-methylethan-1-aminium) diiodideN,N'-[(3,4-Diphenylthiophene-2,5-diyl)bis(carbonyloxyethane-2,1-diyl)]bis(N-ethyl-N-methylethan-1-aminium) diiodide

Database identifiers

CAS: 19802-94-9
PubChem CID: 29784
DTXSID: DTXSID30941614

Properties

Computed structural properties

Topological polar surface area: 80.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 16
Heavy atoms: 41
Formal charge: 0
Complexity: 695

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…