Ammonium, (4-methyl-m-phenylenebis(iminocarbonylmethylene))bis(diethylmethyl-, diiodide

HCID 58147

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Basic information

CAS: 101015-22-9
Standard SMILES: CC[N+](C)(CC)CC(=O)Nc1ccc(C)c(NC(=O)C[N+](C)(CC)CC)c1.[I-].[I-]
InChIKey: XSBLQPYMMGTGKH-UHFFFAOYSA-N
Molecular formula: C21H38I2N4O2
Average molar mass: 632.4 g/mol
Monoisotopic mass: 632.10842

Names & identifiers

Preferred name: Ammonium, (4-methyl-m-phenylenebis(iminocarbonylmethylene))bis(diethylmethyl-, diiodide
IUPAC: [2-[3-[[2-[diethyl(methyl)azaniumyl]acetyl]amino]-4-methylanilino]-2-oxoethyl]-diethyl-methylazanium diiodide

Names & synonyms

IEM-294101015-22-9Ammonium, (4-methyl-m-phenylenebis(iminocarbonylmethylene))bis(diethylmethyl-, diiodide(4-Methyl-m-phenylenebis(iminocarbonylmethylene))bis(diethylmethylammonium iodide)RefChem:318933[2-[3-[[2-[diethyl(methyl)azaniumyl]acetyl]amino]-4-methylanilino]-2-oxoethyl]-diethyl-methylazanium;diiodide

Database identifiers

CAS: 101015-22-9
PubChem CID: 58147

Properties

Computed structural properties

Topological polar surface area: 58.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 10
Heavy atoms: 29
Formal charge: 0
Complexity: 487

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