1-hexadecylpyridin-1-ium hydrate

Systemtic Name: 1-hexadecylpyridin-1-ium hydrate Openeye Name: 1-hexadecylpyridin-1-ium hydrate CAS Name: 1-hexadecylpyridin-1-ium hydrate IUPAC Name: 1-hexadecylpyridin-1-ium hydrate Traditional Name: 1-cetylpyridin-1-ium hydrate Formula: C21H40NO+ MolecularWeight: 322.5484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.O

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.O

InChI

InChI=1S/C21H38N.H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;/h15,17-18,20-21H,2-14,16,19H2,1H3;1H2/q+1;