1-hexadecylpyridin-1-ium; hydrogen sulfate

Systemtic Name: 1-hexadecylpyridin-1-ium; hydrogen sulfate Openeye Name: 1-hexadecylpyridin-1-ium; hydrogen sulfate CAS Name: 1-hexadecylpyridin-1-ium; hydrogen sulfate IUPAC Name: 1-hexadecylpyridin-1-ium; hydrogen sulfate Traditional Name: 1-cetylpyridin-1-ium bisulfate Formula: C21H39NO4S MolecularWeight: 401.60366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.OS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.OS(=O)(=O)[O-]

InChI

InChI=1S/C21H38N.H2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;1-5(2,3)4/h15,17-18,20-21H,2-14,16,19H2,1H3;(H2,1,2,3,4)/q+1;/p-1