[3-(2-dodecylphenoxy)-2-oxidanyl-propyl]-triethyl-azanium chloride

Systemtic Name: [3-(2-dodecylphenoxy)-2-oxidanyl-propyl]-triethyl-azanium chloride Openeye Name: [3-(2-dodecylphenoxy)-2-hydroxy-propyl]-triethyl-ammonium chloride CAS Name: [3-(2-dodecylphenoxy)-2-hydroxypropyl]-triethylammonium chloride IUPAC Name: [3-(2-dodecylphenoxy)-2-hydroxypropyl]-triethylazanium chloride Traditional Name: triethyl-[2-hydroxy-3-(2-laurylphenoxy)propyl]ammonium chloride Formula: C27H50ClNO2 MolecularWeight: 456.1444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1OCC(C[N+](CC)(CC)CC)O.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1OCC(C[N+](CC)(CC)CC)O.[Cl-]

InChI

InChI=1S/C27H50NO2.ClH/c1-5-9-10-11-12-13-14-15-16-17-20-25-21-18-19-22-27(25)30-24-26(29)23-28(6-2,7-3)8-4;/h18-19,21-22,26,29H,5-17,20,23-24H2,1-4H3;1H/q+1;/p-1