Metalkonium

HCID 7536

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Basic information

CAS: 73091-68-6
Standard SMILES: CCCCCCCCCCCCNC(=O)C[N+](C)(C)Cc1ccccc1
InChIKey: DYKFIFLJEJVONL-UHFFFAOYSA-O
Molecular formula: C23H41N2O+
Average molar mass: 361.6 g/mol
Monoisotopic mass: 361.32188894

Names & identifiers

Preferred name: Metalkonium
IUPAC: benzyl-[2-(dodecylamino)-2-oxoethyl]-dimethylazanium

Names & synonyms

MetalkoniumMetalkonium ionMetalkonium cationUNII-YPN3UQ28FMYPN3UQ28FMBenzyl dodecylcarbamoylmethyl dimethyl ammonium73091-68-6DTXSID80223356RefChem:156772DTXCID80145847MLS006011725SCHEMBL7153906

Show more names

CHEMBL2110955AKOS032955786SMR004703444SR-01000945268SR-01000945268-1Q27294651N-Benzyl-2-(dodecylamino)-N,N-dimethyl-2-oxoethan-1-aminium

Database identifiers

CAS: 73091-68-6
PubChem CID: 7536
DTXSID: DTXSID80223356
ChEMBL: CHEMBL2110955
UNII: YPN3UQ28FM
Nikkaji: J209.388J

Properties

Computed structural properties

XLogP: 6.7
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 15
Heavy atoms: 26
Formal charge: 1
Complexity: 348

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