Ammonium, dimethyl((2,4-xylylcarbamoyl)methyl)((2,6-xylylcarbamoyl)methyl)-, chloride

HCID 20134

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Basic information

CAS: 4169-39-5
Standard SMILES: Cc1ccc(NC(=O)C[N+](C)(C)CC(=O)Nc2c(C)cccc2C)c(C)c1.[Cl-]
InChIKey: QIABRHAKQAOTHO-UHFFFAOYSA-N
Molecular formula: C22H30ClN3O2
Average molar mass: 403.9 g/mol
Monoisotopic mass: 403.2026549

Names & identifiers

Preferred name: Ammonium, dimethyl((2,4-xylylcarbamoyl)methyl)((2,6-xylylcarbamoyl)methyl)-, chloride
IUPAC: [2-(2,4-dimethylanilino)-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-dimethylazanium chloride

Names & synonyms

4169-39-5Dimethyl((2,4-xylylcarbamoyl)methyl)((2,6-xylylcarbamoyl)methyl)ammonium chlorideAmmonium, dimethyl((2,4-xylylcarbamoyl)methyl)((2,6-xylylcarbamoyl)methyl)-, chlorideRefChem:319294

Database identifiers

CAS: 4169-39-5
PubChem CID: 20134

Properties

Computed structural properties

Topological polar surface area: 58.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 6
Heavy atoms: 28
Formal charge: 0
Complexity: 510

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