Isoindolinium, 2-(5'-(diethylmethylammononio)pentyl)-2-methyl-4,5,6,7-tetrachloro-, diiodide

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Basic information

CAS: 63905-49-7
Standard SMILES: CC[N+](C)(CC)CCCCC[N+]1(C)Cc2c(Cl)c(Cl)c(Cl)c(Cl)c2C1.[I-].[I-]
InChIKey: ZCKXWZJYZCFTMH-UHFFFAOYSA-L
Molecular formula: C19H30Cl4I2N2
Average molar mass: 682.1 g/mol
Monoisotopic mass: 679.92525

Names & identifiers

Preferred name: Isoindolinium, 2-(5'-(diethylmethylammononio)pentyl)-2-methyl-4,5,6,7-tetrachloro-, diiodide
IUPAC: diethyl-methyl-[5-(4,5,6,7-tetrachloro-2-methyl-1,3-dihydroisoindol-2-ium-2-yl)pentyl]azanium diiodide

Names & synonyms

SU-3152Ammonium, (5-(2-methyl-4,5,6,7-tetrachloroisoindolinio)pentyl)diethylmethyl-, diiodideIsoindolinium, 2-(5'-(diethylmethylammononio)pentyl)-2-methyl-4,5,6,7-tetrachloro-, diiodide63905-49-7RefChem:349614DTXSID309808814,5,6,7-Tetrachloro-2-{5-[diethyl(methyl)azaniumyl]pentyl}-2-methyl-2,3-dihydro-1H-isoindol-2-ium diiodide

Database identifiers

CAS: 63905-49-7
PubChem CID: 45086
DTXSID: DTXSID30980881

Properties

Computed structural properties

Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 8
Heavy atoms: 27
Formal charge: 0
Complexity: 408

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Compound notes

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