4-Carbamoyl-1-[2-(dodecylamino)-2-oxoethyl]pyridin-1-ium chloride

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Basic information

CAS: 114329-10-1
Standard SMILES: CCCCCCCCCCCCNC(=O)C[n+]1ccc(C(N)=O)cc1.[Cl-]
InChIKey: HHXZUMQXGBIBJN-UHFFFAOYSA-N
Molecular formula: C20H34ClN3O2
Average molar mass: 384 g/mol
Monoisotopic mass: 383.233955

Names & identifiers

Preferred name: 4-Carbamoyl-1-[2-(dodecylamino)-2-oxoethyl]pyridin-1-ium chloride
IUPAC: 1-[2-(dodecylamino)-2-oxoethyl]pyridin-1-ium-4-carboxamide chloride
English name: Pyridinium, 4-(aminocarbonyl)-1-[2-(dodecylamino)-2-oxoethyl]-, chloride (1:1)
Molecular formula: C20H34ClN3O2
Molecular weight: 383.96

Names & synonyms

114329-10-1DTXSID106382174-Carbamoyl-1-[2-(dodecylamino)-2-oxoethyl]pyridin-1-ium chlorideNSC141292AKOS024429272NSC-1412924-CARBAMOYL-1-(DODECYLCARBAMOYLMETHYL)-PYRIDINIUM CHLORIDEPyridinium, 4-(aminocarbonyl)-1-[2-(dodecylamino)-2-oxoethyl]-, chloride (1:1)

Database identifiers

CAS: 114329-10-1
PubChem CID: 24192608
DTXSID: DTXSID10638217

Properties

Computed structural properties

Topological polar surface area: 76.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 14
Heavy atoms: 26
Formal charge: 0
Complexity: 366

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Compound notes

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