1-hexadecylpyridin-1-ium; methanesulfonic acid

Systemtic Name: 1-hexadecylpyridin-1-ium; methanesulfonic acid Openeye Name: 1-hexadecylpyridin-1-ium; methanesulfonic acid CAS Name: 1-hexadecylpyridin-1-ium; methanesulfonic acid IUPAC Name: 1-hexadecylpyridin-1-ium; methanesulfonic acid Traditional Name: 1-cetylpyridin-1-ium; mesylic acid Formula: C22H42NO3S+ MolecularWeight: 400.63878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H38N.CH4O3S/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;1H3,(H,2,3,4)/q+1;