1-[(3,4-Dichlorophenyl)methyl]-3-{1-[(3,4-dichlorophenyl)methyl]-1-methylpyrrolidin-1-ium-2-yl}pyridin-1-ium

HCID 407249

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Basic information

CAS: 5456-24-6
Standard SMILES: C[N+]1(Cc2ccc(Cl)c(Cl)c2)CCCC1c1ccc[n+](Cc2ccc(Cl)c(Cl)c2)c1
InChIKey: KMLZVZXTJRRFSZ-UHFFFAOYSA-N
Molecular formula: C24H24Cl4N2+2
Average molar mass: 482.3 g/mol
Monoisotopic mass: 480.06936

Names & identifiers

Preferred name: 1-[(3,4-Dichlorophenyl)methyl]-3-{1-[(3,4-dichlorophenyl)methyl]-1-methylpyrrolidin-1-ium-2-yl}pyridin-1-ium
IUPAC: 1-[(3,4-dichlorophenyl)methyl]-3-[1-[(3,4-dichlorophenyl)methyl]-1-methylpyrrolidin-1-ium-2-yl]pyridin-1-ium

Names & synonyms

NSC3283DTXSID703281671-(3,4-dichlorobenzyl)-3-(1-(3,4-dichlorobenzyl)-1-methyl-15-pyrrolidin-2-yl)-15-pyridine1-[(3,4-Dichlorophenyl)methyl]-3-{1-[(3,4-dichlorophenyl)methyl]-1-methylpyrrolidin-1-ium-2-yl}pyridin-1-ium

Database identifiers

CAS: 5456-24-6
PubChem CID: 407249
DTXSID: DTXSID70328167

Properties

Computed structural properties

XLogP: 7
Topological polar surface area: 3.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 5
Heavy atoms: 30
Formal charge: 2
Complexity: 563

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