1-ethyl-1-hexadecyl-pyrrolidin-1-ium; ethyl hydrogen sulfate

Systemtic Name: 1-ethyl-1-hexadecyl-pyrrolidin-1-ium; ethyl hydrogen sulfate Openeye Name: 1-ethyl-1-hexadecyl-pyrrolidin-1-ium; ethyl hydrogen sulfate CAS Name: 1-ethyl-1-hexadecylpyrrolidin-1-ium; sulfuric acid ethyl ester IUPAC Name: 1-ethyl-1-hexadecylpyrrolidin-1-ium; ethyl hydrogen sulfate Traditional Name: 1-cetyl-1-ethyl-pyrrolidin-1-ium; sulfuric acid ethyl ester Formula: C24H52NO4S+ MolecularWeight: 450.73898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+]1(CCCC1)CC.CCOS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+]1(CCCC1)CC.CCOS(=O)(=O)O

InChI

InChI=1S/C22H46N.C2H6O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23(4-2)21-18-19-22-23;1-2-6-7(3,4)5/h3-22H2,1-2H3;2H2,1H3,(H,3,4,5)/q+1;