(4-dodecylphenyl)-triethyl-azanium; ethyl hydrogen sulfate

Systemtic Name: (4-dodecylphenyl)-triethyl-azanium; ethyl hydrogen sulfate Openeye Name: (4-dodecylphenyl)-triethyl-ammonium; ethyl hydrogen sulfate CAS Name: (4-dodecylphenyl)-triethylammonium; sulfuric acid ethyl ester IUPAC Name: (4-dodecylphenyl)-triethylazanium; ethyl hydrogen sulfate Traditional Name: sulfuric acid ethyl ester; triethyl-(4-laurylphenyl)ammonium Formula: C26H50NO4S+ MolecularWeight: 472.7445

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)[N+](CC)(CC)CC.CCOS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)[N+](CC)(CC)CC.CCOS(=O)(=O)O

InChI

InChI=1S/C24H44N.C2H6O4S/c1-5-9-10-11-12-13-14-15-16-17-18-23-19-21-24(22-20-23)25(6-2,7-3)8-4;1-2-6-7(3,4)5/h19-22H,5-18H2,1-4H3;2H2,1H3,(H,3,4,5)/q+1;