Ammonium, diethyl(2-hydroxyethyl)methyl-, iodide, phenanthro(9,10-c)thiophene-1,3-dicarboxylate (2:1)

HCID 29889

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Basic information

CAS: 19976-53-5
Standard SMILES: CC[N+](C)(CC)CCOC(=O)c1sc(C(=O)OCC[N+](C)(CC)CC)c2c3ccccc3c3ccccc3c12.[I-].[I-]
InChIKey: HPIFGMQCBVGFJD-UHFFFAOYSA-L
Molecular formula: C32H42I2N2O4S
Average molar mass: 804.6 g/mol
Monoisotopic mass: 804.09547

Names & identifiers

Preferred name: Ammonium, diethyl(2-hydroxyethyl)methyl-, iodide, phenanthro(9,10-c)thiophene-1,3-dicarboxylate (2:1)
IUPAC: 2-[3-[2-[diethyl(methyl)azaniumyl]ethoxycarbonyl]phenanthro[9,10-c]thiophene-1-carbonyl]oxyethyl-diethyl-methylazanium diiodide

Names & synonyms

19976-53-5Ammonium, diethyl(2-hydroxyethyl)methyl-, iodide, phenanthro(9,10-c)thiophene-1,3-dicarboxylate (2:1)RefChem:319236DTXSID20941906N,N'-[Phenanthro[9,10-c]thiene-1,3-diylbis(carbonyloxyethane-2,1-diyl)]bis(N-ethyl-N-methylethan-1-aminium) diiodideN,N'-[Phenanthro[9,10-c]thiophene-1,3-diylbis(carbonyloxyethane-2,1-diyl)]bis(N-ethyl-N-methylethan-1-aminium) diiodide

Database identifiers

CAS: 19976-53-5
PubChem CID: 29889
DTXSID: DTXSID20941906

Properties

Computed structural properties

Topological polar surface area: 80.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 14
Heavy atoms: 41
Formal charge: 0
Complexity: 763

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