Ammonium, (carboxymethyl)dimethyl(dimethylaminoethyl)-, chloride, decyl ester

HCID 33289

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Basic information

CAS: 26072-70-8
Standard SMILES: CCCCCCCCCCOC(=O)C[N+](C)(C)CCN(C)C.[Cl-]
InChIKey: XRCFLWJATOLFMI-UHFFFAOYSA-M
Molecular formula: C18H39ClN2O2
Average molar mass: 351 g/mol
Monoisotopic mass: 350.2700062

Names & identifiers

Preferred name: Ammonium, (carboxymethyl)dimethyl(dimethylaminoethyl)-, chloride, decyl ester
IUPAC: (2-decoxy-2-oxoethyl)-[2-(dimethylamino)ethyl]-dimethylazanium chloride

Names & synonyms

(Carboxymethyl)dimethyl(dimethylaminoethyl)ammonium, chloride, decyl ester26072-70-8AMMONIUM, (CARBOXYMETHYL)DIMETHYL(DIMETHYLAMINOETHYL)-, CHLORIDE, DECYL ESTERRefChem:318976DTXSID109489492-(Decyloxy)-N-[2-(dimethylamino)ethyl]-N,N-dimethyl-2-oxoethan-1-aminium chloride

Database identifiers

CAS: 26072-70-8
PubChem CID: 33289
DTXSID: DTXSID10948949

Properties

Computed structural properties

Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 15
Heavy atoms: 23
Formal charge: 0
Complexity: 278

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